New Database Available - Released on 11/08/2026.
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molecules
Showing 181 to 210 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Pinocarveol, trans-(-)- 547-61-5 Monomolecular 1201530 LCYXQUJDODZYIJ-DJLDLDEBSA-N CC1([C@H]2C[C@@H]1C(=C)[C@@H](C2)O)C
Levoverbenone 1196-01-06 Monomolecular 92874 DCSCXTJOXBUFGB-JGVFFNPUSA-N CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
2,6-Di-tert-butylphenol 128-39-2 Monomolecular 31405 DKCPKDPYUFEZCP-UHFFFAOYSA-N CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
3-Vinylbenzaldehyde 19955-99-8 Monomolecular 39390 CATOVPRCMWIZLR-UHFFFAOYSA-N C=CC1=CC(=CC=C1)C=O
Tetrahydrolinalool 78-69-3 Sum of Isomers 6548 DLHQZZUEERVIGQ-UHFFFAOYSA-N CCC(C)(CCCC(C)C)O
4'-Ethylacetophenone 937-30-4 Monomolecular 13642 NODGRWCMFMEGJH-UHFFFAOYSA-N CCC1=CC=C(C=C1)C(=O)C
Butyl salicylate 2052-14-4 Monomolecular 16330 YFDUWSBGVPBWKF-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1O
Cedrol 77-53-2 Monomolecular 65575 SVURIXNDRWRAFU-OGMFBOKVSA-N C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3) ...
Methyl 2-Methoxybenzoate 606-45-1 Monomolecular 61151 PFYHAAAQPNMZHO-UHFFFAOYSA-N COC1=CC=CC=C1C(=O)OC
beta-Ocimene 13877-91-3 Sum of Isomers 18756 IHPKGUQCSIINRJ-UHFFFAOYSA-N CC(=CCC=C(C)C=C)C
Butyl Acrylate 141-32-2 Monomolecular 8846 CQEYYJKEWSMYFG-UHFFFAOYSA-N CCCCOC(=O)C=C
Myrtenal 564-94-3 Sum of Isomers 61130 KMRMUZKLFIEVAO-UHFFFAOYSA-N CC1(C2CC=C(C1C2)C=O)C
Ammonium Hydroxide 1336-21-6 Monomolecular 14923 VHUUQVKOLVNVRT-UHFFFAOYSA-N [NH4+].[OH-]
Guaiacyl acetate 613-70-7 Monomolecular 61155 BHJHPYFAYGAPLS-UHFFFAOYSA-N CC(=O)OC1=CC=CC=C1OC
(+-)-Piperitone 89-81-6 Sum of Isomers 6987 YSTPAHQEHQSRJD-UHFFFAOYSA-N CC1=CC(=O)C(CC1)C(C)C
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 14901-07-6 Sum of Isomers 26955 PSQYTAPXSHCGMF-UHFFFAOYSA-N CC1=C(C(CCC1)(C)C)C=CC(=O)C
Water 7732-18-5 Monomolecular 962 XLYOFNOQVPJJNP-UHFFFAOYSA-N O
3-(Methylthio)-1-propanol 505-10-2 Monomolecular 10448 CZUGFKJYCPYHHV-UHFFFAOYSA-N CSCCCO
Ethyl 3-Hydroxybutyrate 5405-41-4 Sum of Isomers 62572 OMSUIQOIVADKIM-UHFFFAOYSA-N CCOC(=O)CC(C)O
4-Propylphenol 645-56-7 Monomolecular 12580 KLSLBUSXWBJMEC-UHFFFAOYSA-N CCCC1=CC=C(C=C1)O
(+-)-Myrtenol 515-00-4 Sum of Isomers 10582 RXBQNMWIQKOSCS-UHFFFAOYSA-N CC1(C2CC=C(C1C2)CO)C
(+-)-Fenchone 1195-79-5 Sum of Isomers 14525 LHXDLQBQYFFVNW-UHFFFAOYSA-N CC1(C2CCC(C2)(C1=O)C)C
3,7,11-Trimethyldodeca-1,6,10-trien-3-ol 142-50-7 Sum of Isomers 8888 FQTLCLSUCSAZDY-UHFFFAOYSA-N CC(=CCCC(=CCCC(C)(C=C)O)C)C
3-Hexen-1-ol 544-12-7 Sum of Isomers 10993 UFLHIIWVXFIJGU-UHFFFAOYSA-N CCC=CCCO
Hexenal 1335-39-3 Sum of Isomers 10460 MBDOYVRWFFCFHM-UHFFFAOYSA-N CCCC=CC=O
3-Phenylprop-2-Enal 104-55-2 Sum of Isomers 307 KJPRLNWUNMBNBZ-UHFFFAOYSA-N C1=CC=C(C=C1)C=CC=O
4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane 17627-43-9 Sum of Isomers 14350 NVEQFIOZRFFVFW-UHFFFAOYSA-N CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
(1R,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene 87-44-5 Sum of Isomers 6887 NPNUFJAVOOONJE-ZIAGYGMSSA-N CC1=CCCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
Pinocarveol, (+-)- 5947-36-4 Sum of Isomers 102667 LCYXQUJDODZYIJ-UHFFFAOYSA-N CC1(C2CC1C(=C)C(C2)O)C
4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one 5480-12-6 Sum of Isomers 29025 DCSCXTJOXBUFGB-UHFFFAOYSA-N CC1=CC(=O)C2CC1C2(C)C
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