dD,Ac,Bs
dD,dP,Ac*Bs
sq(dD^2+dP^2),Ac,Bs
No. Name δD δP δH yHAcid26B yHBase26B Score RED MVol CAS SMILES Remarks 1 1,8-p-Menthadien-4-ol 17.68 4.51 8.35 4.52 7.01 4 - 163.6 _3419-02-1 - - 2 Allyl isothiocyanate 17.07 14 8.5 8.48 0.63 4 - 97.8 _57-06-7 - - 3 Citronellal 16.38 4.75 4.1 2.25 3.43 4 - 179.5 106-23-0 - - 4 Myrtenyl acetate 16.75 2.65 4.16 2.42 3.38 4 - 187.3 1079-01-2 - - 5 Caryopyllene oxide 16.98 2.48 2.4 1.41 1.95 4 - 233.6 1139-30-6 - - 6 Verbenone 17.13 4.81 2.78 1.72 2.18 1 - 147.4 1196-01-6 - - 7 p-Cymene-8-ol 18.01 4.63 8.08 5.48 5.95 4 - 151.2 1197-01-9 - - 8 Myrcene 16 1.72 2.48 1.46 2 3 - 173.8 123-35-3 - - 9 Isobornyl acetate 16.7 2.69 2.99 1.67 2.48 4 - 199.8 125-12-2 - - 10 β-Pinene 16.19 0.9 1.69 1.45 0.87 4 - 149.2 127-91-3 - - 11 3-Carene 16.39 1.03 1.94 1.9 0.4 3 - 149.6 13466-78-9 - - 12 d-Limonene 16.74 1.77 3.16 1.8 2.59 4 - 163.3 138-86-3 - - 13 Ipsenol 15.91 3.45 7.55 4.81 5.82 2 - 183.5 14314-21-7 - - 14 l-Perillyl acetate 17.01 3.16 5.03 2.62 4.3 4 - 201 15111-96-3 - - 15 d-Limonene-10-yl acetate 17.01 3.16 5.03 2.62 4.3 4 - 201 15111-97-4 - - 16 dl-Rose oxide 16.8 2.98 3.49 1.62 3.09 4 - 177.2 16409-43-1 - - 17 α-Pinene oxide 16.75 3.35 2.12 1.44 1.55 4 - 153.4 1686-14-2 - - 18 Tetrahydromyrcenol 15.75 3.37 6.29 4.19 4.7 4 - 190.8 18479-57-7 - - 19 β-Farnesene 16.31 1.52 2.34 1.22 2 4 - 249.4 18794-84-8 - - 20 l-Dihydrocarveol 16.92 3.78 8.05 4.91 6.38 4 - 174.2 20549-47-7 - - 21 l-Perillaldehyde 17.2 5.14 4.95 2.75 4.12 4 - 159.8 2111-75-3 - - 22 dl-Camphor 17.31 5.38 2.03 1.19 1.64 4 - 156.9 21368-68-3 - - 23 l-Menthol 16.69 3.73 7.61 5.24 5.51 4 - 181.6 2216-51-5 - - 24 Carane oxide 16.75 3.35 2.12 1.44 1.55 4 - 153.4 2225-98-1 - - 25 d-Dihydrocarveol 16.92 3.78 8.05 4.91 6.38 4 - 174.2 22567-21-1 - - 26 d-2,8-p-Menthadien-1-ol 17.39 4.38 7.78 3.65 6.87 4 - 167 22771-44-4 - - 27 Frontalin 17.6 5.7 4.25 2.16 3.67 6 - 144.9 28401-39-0 - - 28 Ipsdienol 16.54 3.68 7.96 3.91 6.94 2 - 173.7 35628-00-3 - - 29 d-1,(7),8-Menthadien-2-ol 17.03 3.79 8.8 5.43 6.93 4 - 166.7 35907-10-9 - - 30 l-Carvone oxide 17.81 7.51 3.68 2.07 3.04 4 - 166.5 36616-60-1 - - 31 d-Limonene-10-ol 17.32 4.22 9.56 6.38 7.11 4 - 161.7 38142-45-9 - - 32 Linalool oxide pyranoid 16.81 4.48 7.78 5.27 5.72 4 - 185 39028-58-5 - - 33 1,4-Cineole 17.08 3.69 2.63 1.36 2.25 4 - 170.4 470-67-7 - - 34 1,8-Cineole 16.68 2.77 2.56 1.32 2.2 4 - 165.7 470-82-6 - - 35 Verbenol 16.82 3.06 8.16 6.3 5.18 2 - 151.8 473-67-6 - - 36 Longifolene 16.62 0.76 0.96 0.83 0.48 4 - 220.4 475-20-7 - - 37 3-Octyl acetate 15.9 3.15 4.26 2.27 3.6 4 - 198.4 4864-61-3 - - 38 Piperitenone 17.87 5.45 5 2.69 4.22 4 - 156.6 491-09-8 - - 39 Sobrerol 17.48 5.3 12.81 8.68 9.41 4 - 170.2 498-71-5 - - 40 Dihydroterpineol 16.78 3.53 6.97 4.45 5.36 4 - 173.4 498-81-7 - - 41 n-Borneol 16.99 3.67 7.26 5.46 4.78 4 - 161.3 507-70-0 - - 42 Myrtenol 17 3.61 8.52 6.72 5.24 4 - 148 515-00-4 - - 43 l-Perillyl alcohol 17.32 4.22 9.56 6.38 7.11 4 - 161.7 536-59-4 - - 44 d-Dihydrocarvone 17.2 5.42 2.87 1.47 2.47 4 - 169.8 5524-05-0 - - 45 4-Terpineol 17.43 4.45 7.84 5.08 5.98 4 - 171.1 562-74-3 - - 46 Myrtenal 16.88 4.56 3.76 2.47 2.84 4 - 146.1 564-94-3 - - 47 l-Dihydrocarvyl acetate 16.63 2.79 3.58 1.79 3.1 4 - 212.6 57287-13-5 - - 48 Terpinolene 17.17 1.8 4.24 2.41 3.49 4 - 158.7 586-62-9 - - 49 Pinocarveol 16.7 3.19 7.75 6.01 4.9 4 - 153 5947-36-4 - - 50 l-Limonene 16.74 1.77 3.16 1.8 2.59 4 - 163.3 5989-27-5 - - 51 Linalool oxide furanoid 16.88 4.57 6.82 4.31 5.29 4 - 180.7 5989-33-3 - - 52 l-Dihydrocarvone 17.2 5.42 2.87 1.47 2.47 4 - 169.8 619-02-3 - - 53 Brevicomin 16.83 4.49 3.64 1.82 3.15 6 - 159.7 64313-75-3 - - 54 Elemene 16.31 1 1.09 0.69 0.84 4 - 255.9 68845-33-0 - - 55 d-Limonene oxide 17.07 4.01 3.24 1.86 2.66 4 - 167.1 6909-30-4 - - 56 3-Octanol 16.04 4.29 8.87 6.43 6.11 4 - 159.9 70492-66-9 - - 57 l-Citronellol 16.48 4.03 8.14 5.48 6.02 4 - 182.2 7540-51-4 - - 58 d-Dihydrocarvyl acetate 16.63 2.79 3.58 1.79 3.1 4 - 212.6 75684-65-0 - - 59 Camphene 16.19 0.9 1.69 1.45 0.87 3 - 149.2 79-92-5 - - 60 Dihydroterpinyl acetate 16.46 2.52 3.46 1.75 2.98 4 - 216.2 80-25-1 - - 61 α-Pinene 16.39 1.03 1.94 1.9 0.4 3 - 149.6 80-56-8 - - 62 Terpineol C mix 17.37 4.32 7.29 4.22 5.94 4 - 170.7 8000-41-7 - - 63 α-Terpinyl acetate 16.69 2.65 4.26 2.3 3.58 4 - 209.1 8007-35-0 - - 64 Caryophyllene 16.75 0.85 2.3 1.36 1.85 4 - 229.8 87-44-5 - - 65 l-Menthyl acetate 16.46 2.52 3.46 1.75 2.98 4 - 216.2 89-48-5 - - 66 l-Menthone 16.96 5.32 2.52 1.28 2.17 4 - 177.2 89-80-5 - - 67 Piperitone P 17.19 5.3 3.58 1.88 3.04 4 - 168.6 89-81-6 - - 68 d-Puregone 17.61 5.47 3.89 2.02 3.33 4 - 165.2 89-82-7 - - 69 l-Carvyl acetate 16.87 2.92 4.4 2.35 3.71 4 - 205.6 97-42-7 - - 70 Eugenol 18.49 5.86 9.23 7.57 5.28 4 - 156.4 97-53-0 - - 71 α-Terpineol 17.07 3.69 8 4.92 6.3 4 - 166.3 98-55-5 - - 72 l-α-Terpineol 17.07 3.69 8 4.92 6.3 4 - 166.3 98-55-5 - - 73 l-Carveol 17.21 3.95 9.07 5.74 7.02 4 - 167.1 99-48-9 - - 74 p-Menthane 16.22 1.75 1.82 0.85 1.61 4 - 177.8 99-82-1 - - 75 γ-Terpinene 16.8 1.75 3.75 2.47 2.83 4 - 163.7 99-85-4 - - 76 α-Terpinene 16.72 1.64 3.9 2.35 3.11 4 - 162.1 99-86-5 - - 77 p-Cymene 17.46 2.53 2.58 1.66 1.97 4 - 155.6 99-87-6 - - 78 Linalool 16.43 2.8 6.65 3.85 5.42 6 - 183.2 78-70-6 - - 79 MCH 18.01 7.71 5.26 3.1 4.25 6 - 114.4 1193-18-6 - -
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