New Database Available - Released on 11/08/2026.
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molecules
Showing 1 to 30 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Myristyl acetate 638-59-5 Monomolecular 12531 IOUUIFSIQMVYKP-UHFFFAOYSA-N CCCCCCCCCCCCCCOC(=O)C
(Z)-9-Tetradecenal 53939-27-8 Monomolecular 5364471 ANJAOCICJSRZSR-WAYWQWQTSA-N CCCC/C=C\CCCCCCCC=O
11-Hexadecenyl acetate, (11Z)- 34010-21-4 Monomolecular 5364711 BTKXLQSCEOHKTF-SREVYHEPSA-N CCCC/C=C\CCCCCCCCCCOC(=O)C
Virelure 56683-54-6 Monomolecular 5283305 RHVMNRHQWXIJIS-WAYWQWQTSA-N CCCC/C=C\CCCCCCCCCCO
(Z)-9-Hexadecenal 56219-04-6 Monomolecular 5364643 QFPVVMKZTVQDTL-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCC=O
11-Hexadecenal, (11Z)- 53939-28-9 Monomolecular 5364495 AMTITFMUKRZZEE-WAYWQWQTSA-N CCCC/C=C\CCCCCCCCCC=O
Ethyl Acetate 141-78-6 Monomolecular 8857 XEKOWRVHYACXOJ-UHFFFAOYSA-N CCOC(=O)C
Ethyl hexanoate 123-66-0 Monomolecular 31265 SHZIWNPUGXLXDT-UHFFFAOYSA-N CCCCCC(=O)OCC
2-Heptanone 110-43-0 Monomolecular 8051 CATSNJVOTSVZJV-UHFFFAOYSA-N CCCCCC(=O)C
Humulene 6753-98-6 Monomolecular 5281520 FAMPSKZZVDUYOS-HRGUGZIWSA-N C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C
(-)-Caryophyllene 87-44-5 Monomolecular 5281515 NPNUFJAVOOONJE-GFUGXAQUSA-N C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
alpha-Pinene, (+)- 7785-70-8 Monomolecular 82227 GRWFGVWFFZKLTI-RKDXNWHRSA-N CC1=CC[C@@H]2C[C@H]1C2(C)C
Beta-Pinene 127-91-3 Sum of Isomers 14896 WTARULDDTDQWMU-UHFFFAOYSA-N CC1(C2CCC(=C)C1C2)C
Myrcene 123-35-3 Monomolecular 31253 UAHWPYUMFXYFJY-UHFFFAOYSA-N CC(=CCCC(=C)C=C)C
beta-OCIMENE, (3E)- 3779-61-1 Monomolecular 5281553 IHPKGUQCSIINRJ-CSKARUKUSA-N CC(=CC/C=C(\C)/C=C)C
Indole 120-72-9 Monomolecular 798 SIKJAQJRHWYJAI-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CN2
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene 62235-06-7 Monomolecular 6443227 CWLVBFJCJXHUCF-RNPYNJAESA-N CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C
Jasmone 488-10-8 Monomolecular 1549018 XMLSXPIVAXONDL-PLNGDYQASA-N CC/C=C\CC1=C(CCC1=O)C
Decanal 112-31-2 Monomolecular 8175 KSMVZQYAVGTKIV-UHFFFAOYSA-N CCCCCCCCCC=O
Nonanal 124-19-6 Monomolecular 31289 GYHFUZHODSMOHU-UHFFFAOYSA-N CCCCCCCCC=O
Benzaldehyde 100-52-7 Monomolecular 240 HUMNYLRZRPPJDN-UHFFFAOYSA-N C1=CC=C(C=C1)C=O
Phenylacetaldehyde 122-78-1 Monomolecular 998 DTUQWGWMVIHBKE-UHFFFAOYSA-N C1=CC=C(C=C1)CC=O
2-Hexen-1-ol 2305-21-7 Monomolecular 5318042 ZCHHRLHTBGRGOT-SNAWJCMRSA-N CCC/C=C/CO
3-Hexenol 928-96-1 Monomolecular 5281167 UFLHIIWVXFIJGU-ARJAWSKDSA-N CC/C=C\CCO
1-Hexanol 111-27-3 Monomolecular 8103 ZSIAUFGUXNUGDI-UHFFFAOYSA-N CCCCCCO
Heptanol 111-70-6 Monomolecular 8129 BBMCTIGTTCKYKF-UHFFFAOYSA-N CCCCCCCO
1-Octanol 111-87-5 Monomolecular 957 KBPLFHHGFOOTCA-UHFFFAOYSA-N CCCCCCCCO
1-Nonanol 143-08-8 Monomolecular 8914 ZWRUINPWMLAQRD-UHFFFAOYSA-N CCCCCCCCCO
Benzyl Alcohol 100-51-6 Monomolecular 244 WVDDGKGOMKODPV-UHFFFAOYSA-N C1=CC=C(C=C1)CO
Estragole 140-67-0 Monomolecular 8815 ZFMSMUAANRJZFM-UHFFFAOYSA-N COC1=CC=C(C=C1)CC=C
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