No. Solvent δD δP δH δHD δHA A RED MVol CAS SMILES Remarks 1074 2-phenylethanol 18.4 5.44 11.12 5.5 9.58 6 - 120 _60-12-8 OCCC1=CC=CC=C1 - 9093 geraniol 16.87 4.14 8.5 4.18 6.52 6 - 175.1 106-24-1 C/C(C)=CCC/C(C)=C/CO - 8088 cis-3,7-Dimethyl-2,6-octadien-1-ol 16.87 4.14 8.5 4.18 6.52 6 - 175.1 106-25-2 CC(CCC=C(C)C)=C/CO - 18276 laevo-citronellol 16.48 4.03 8.14 3.87 6.62 6 - 182.2 7540-51-4 C[C@@H](CCC=C(C)C)CCO - 17042 Linalool 16.43 2.8 6.65 2.64 5.84 6 - 183.2 78-70-6 CC(=CCCC(C)(C=C)O)C - 18002 farnesol 16.91 3.36 6.65 2.99 4.92 6 - 250.7 4602-84-0 CC(=CCCC(=CCCC(=CCO)C)C)C - 18748 (Z)-rose oxide 16.8 2.98 3.49 0.1 3.39 6 - 177.2 16409-43-1 CC1CCOC(C1)C=C(C)C - 22991 Damascenone 17.14 3.4 4.1 0.1 4.02 6 - 203.6 23726-93-4 O=C(C1=C(C=C/CC1(C)C)C)/C=C/C - 19324 alpha-damascone 16.65 3.26 3.11 0.12 3.02 6 - 211.4 43052-87-5 CC1=CCCC(C1C(=O)CC=C)(C)C - 9683 PHENETHYL ACETATE 17.77 4 5.56 0.1 5.62 1 - 159.3 103-45-7 CC(OCCC1=CC=CC=C1)=O - 903 benzyl acetate 17.95 4.17 5.98 0.1 6 1 - 142.5 140-11-4 CC(OCC1=CC=CC=C1)=O - 11459 linalyl acetate 16.18 1.96 3.32 0.14 3.39 1 - 226 115-95-7 O=C(C)OC(C=C)(C)CC/C=C(C)C - 58 benzyl alcohol 18.74 5.78 12.28 6.4 10.58 1 - 103.2 100-51-6 OCC1=CC=CC=C1 - 16968 Cis-Jasmone (Jasmacyclene) 17.74 5.17 4.73 0.11 4.67 1 - 172.4 488-10-8 CCC=C/CC1=C(CCC1=O)C - 831 indole 19.96 6.5 6.78 5.18 4.52 1 - 106 120-72-9 C1(C=CC=C2)=C2NC=C1 - 9605 METHYL ANTHRANILATE 18.78 9.57 8.92 2.9 8.95 1 - 130 134-20-3 NC1=C(C(OC)=O)C=CC=C1 - 5291 p-cresol 18.98 5.81 10.84 9.17 6.26 1 - 106.8 106-44-5 OC1=CC=C(C)C=C1 - 17235 phenethyl cinnamate 18.62 3.1 4.65 0.1 4.66 1 - 233.2 103-53-7 C1=CC=C(C=C1)CCOC(=O)C=CC2=CC=CC=C2 - 17650 methyl jasmonate 17.38 5.55 4.62 0.1 4.51 1 - 222 1211-29-6 CCC=C/C[C@@H]1[C@H](CCC1=O)CC(=O)OC - 19005 creamy lactone 17.17 8.01 4.59 0.14 4.4 1 - 174.7 25524-95-2 CCC=C/CC1CCCC(=O)O1 - 472 methyl benzoate 17.9 7.72 4.72 0.12 4.63 1 - 126 93-58-3 O=C(OC)C1=CC=CC=C1 - 1149 benzyl benzoate 18.68 5.47 3.99 0.11 3.97 1 - 188.5 120-51-4 O=C(OCC2=CC=CC=C2)C1=CC=CC=C1 - 9423 P-ANISALDEHYDE 19.16 10 7.51 0.12 7.24 3 - 122.1 123-11-5 O=CC1=CC=C(OC)C=C1 - 18228 nerolidol 16.6 2.32 5.21 1.89 4.42 1 - 258.8 7212-44-4 CC(=CCCC(=CCCC(C)(C=C)O)C)C - 1109 Eugenol 18.49 5.86 9.23 6.36 6.96 1 - 156.4 97-53-0 COC1=C(C=CC(=C1)CC=C)O - 11462 Citronellyl Acetate 16.33 3.03 4.2 0.1 4.28 1 - 221.6 150-84-5 CC(CCC=C(C)C)CCOC(=O)C - 6442 alpha-ionone 16.9 3.25 3.3 0.12 3.11 1 - 210.6 127-41-3 CC1=CCCC(C1C=CC(=O)C)(C)C - 17001 Gamma Decalactone 16.79 7.74 4.62 0.1 4.4 1 - 180.9 706-14-9 CCCCCCC1CCC(=O)O1 - 18691 linalool oxide (pyranoid) 16.81 4.48 7.78 3.03 7 1 - 185 14049-11-7 CC1(C(CCC(O1)(C)C=C)O)C - 17012 cis-3-Hexenol 16.66 5.76 11.19 5.91 9.37 3 - 117.9 928-96-1 CCC=C/CCO - 1107 Cinnamyl Alcohol 18.71 5 10.53 5.35 8.85 1 - 130.5 104-54-1 OCC=CC1=CC=CC=C1 - 10912 Benzoic acid, 2-hydroxy-, phenylmethyl ester 19.05 6.83 7.53 4.38 6.41 1 - 191.3 118-58-1 c(ccc1COC(=O)-c(ccc2)c(O)c2)cc1 - 21216 DL-Camphor 17.31 5.38 2.03 0.1 2.25 1 - 156.9 21368-68-3 O=C1CC2CCC1(C)C2(C)C - 8064 alpha-Terpineol 17.07 3.69 8 2.91 7.58 1 - 166.3 98-55-5 CC(O)(C1CCC(C)=CC1)C - 10445 gamma-terpinene 16.8 1.75 3.75 0.1 3.58 1 - 163.7 99-85-4 C1C=C(C)CC=C1C(C)C - 900 alpha-pinene 16.39 1.03 1.94 0.11 2.03 3 - 149.6 80-56-8 CC1=CCC2C(C1C2)(C)C - 18683 beta-ocimene 16.35 1.65 2.94 0.1 3.06 3 - 172.1 13877-91-3 CC(=CCC=C(C)C=C)C - 51 benzaldehyde 18.88 8.41 6.24 0.1 5.75 3 - 101.5 100-52-7 O=C(C1=CC=CC=C1)[H] - 328 ethyl acetate 15.75 5.8 7.26 0.1 7.25 1 - 97.3 141-78-6 CC(OCC)=O -