New Database Available - Released on 29/09/2026.
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molecules
Showing 481 to 510 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Cuminaldehyde 122-03-2 Monomolecular 326 WTWBUQJHJGUZCY-UHFFFAOYSA-N CC(C)C1=CC=C(C=C1)C=O
Asarone 2883-98-9 Monomolecular 636822 RKFAZBXYICVSKP-AATRIKPKSA-N C/C=C/C1=CC(=C(C=C1OC)OC)OC
Decyl acetate 112-17-4 Monomolecular 8167 NUPSHWCALHZGOV-UHFFFAOYSA-N CCCCCCCCCCOC(=O)C
Propyl butyrate 105-66-8 Monomolecular 7770 HUAZGNHGCJGYNP-UHFFFAOYSA-N CCCC(=O)OCCC
Propyl pentanoate 141-06-0 Monomolecular 67328 ROJKPKOYARNFNB-UHFFFAOYSA-N CCCCC(=O)OCCC
2-Acetylfuran 1192-62-7 Monomolecular 14505 IEMMBWWQXVXBEU-UHFFFAOYSA-N CC(=O)C1=CC=CO1
(±)-γ-Nonalactone 104-61-0 Sum of Isomers 7710 OALYTRUKMRCXNH-UHFFFAOYSA-N CCCCCC1CCC(=O)O1
(S)-(-)-Citronellal 5949-05-3 Monomolecular 443157 NEHNMFOYXAPHSD-JTQLQIEISA-N C[C@@H](CCC=C(C)C)CC=O
Menthone 89-80-5 Monomolecular 26447 NFLGAXVYCFJBMK-BDAKNGLRSA-N C[C@@H]1CC[C@H](C(=O)C1)C(C)C
(±)-Myrtenal 564-94-3 Sum of Isomers 61130 KMRMUZKLFIEVAO-UHFFFAOYSA-N CC1(C2CC=C(C1C2)C=O)C
(+)-Pulegone 89-82-7 Monomolecular 442495 NZGWDASTMWDZIW-MRVPVSSYSA-N C[C@@H]1CCC(=C(C)C)C(=O)C1
Thujone 546-80-5 Monomolecular 261491 USMNOWBWPHYOEA-MRTMQBJTSA-N C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
Bisabolol 515-69-5 Monomolecular 1549992 RGZSQWQPBWRIAQ-LSDHHAIUSA-N CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
cis-Vaccenyl acetate 6186-98-7 Monomolecular 5363286 QSZKEDWVAOAFQY-HJWRWDBZSA-N CCCCCC/C=C\CCCCCCCCCCOC(=O)C
(1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one 473-62-1 Monomolecular 10329459 MQPHVIPKLRXGDJ-GJMOJQLCSA-N C[C@@H]1[C@H]2C[C@H](C2(C)C)CC1=O
trans-Pinocamphone (pinocamphone) N.A. Monomolecular 6430551 MQPHVIPKLRXGDJ-BIIVOSGPSA-N C[C@H]1[C@H]2C[C@H](C2(C)C)CC1=O
4-Thujanol 17699-16-0 Monomolecular 6326181 KXSDPILWMGFJMM-AEJSXWLSSA-N CC(C)[C@@]12CC[C@@]([C@@H]1C2)(C)O
Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel- 22339-08-8 Monomolecular 89664 WONIGEXYPVIKFS-VGMNWLOBSA-N CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O
Isopinocamphone 14575-93-0 Monomolecular 84532 MQPHVIPKLRXGDJ-RNJXMRFFSA-N C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
Pinocamphone 547-60-4 Monomolecular 6427105 MQPHVIPKLRXGDJ-PRJMDXOYSA-N C[C@@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
Verbenol, (S)-trans- 19890-02-9 Monomolecular 88298 WONIGEXYPVIKFS-DJLDLDEBSA-N CC1=C[C@H]([C@H]2C[C@@H]1C2(C)C)O
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane 68108-90-7 Monomolecular 155085 XNNASGSBOJGKAZ-IUCAKERBSA-N C[C@H]1CCC[C@]2(O1)CCCO2
Carvone, (+-)- 99-49-0 Sum of Isomers 7439 ULDHMXUKGWMISQ-UHFFFAOYSA-N CC1=CCC(CC1=O)C(=C)C
2-Methyl-6-methylene-2,7-octadien-4-ol 14434-41-4 Sum of Isomers 85734 NHMKYUHMPXBMFI-UHFFFAOYSA-N CC(=CC(CC(=C)C=C)O)C
(+-)-Myrtenol 515-00-4 Sum of Isomers 10582 RXBQNMWIQKOSCS-UHFFFAOYSA-N CC1(C2CC=C(C1C2)CO)C
Brevicomin 20290-99-7 Monomolecular 181255 YONXEBYXWVCXIV-HLTSFMKQSA-N CC[C@@H]1[C@H]2CCC[C@](O2)(O1)C
2-Methyl-3-buten-2-ol 115-18-4 Monomolecular 8257 HNVRRHSXBLFLIG-UHFFFAOYSA-N CC(C)(C=C)O
3,4-Dimethoxytoluene 494-99-5 Monomolecular 68126 GYPMBQZAVBFUIZ-UHFFFAOYSA-N CC1=CC(=C(C=C1)OC)OC
4-Methylanisole 104-93-8 Monomolecular 7731 CHLICZRVGGXEOD-UHFFFAOYSA-N CC1=CC=C(C=C1)OC
3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)- 6994-89-4 Monomolecular 5363351 NOEQSPUVXRMJBW-SOFGYWHQSA-N CC(C)(/C=C/CC(=C)C=C)O
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