New Database Available - Released on 11/08/2026.
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molecules
Showing 91 to 120 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Verbenol, (S)-cis- 18881-04-04 Monomolecular 87839 WONIGEXYPVIKFS-YIZRAAEISA-N CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)O
2-Methyl-1-butanol 137-32-6 Sum of Isomers 8723 QPRQEDXDYOZYLA-UHFFFAOYSA-N CCC(C)CO
Isoamyl Alcohol 123-51-3 Monomolecular 31260 PHTQWCKDNZKARW-UHFFFAOYSA-N CC(C)CCO
2-Ethylhexanol 104-76-7 Sum of Isomers 7720 YIWUKEYIRIRTPP-UHFFFAOYSA-N CCCCC(CC)CO
Octanal 124-13-0 Monomolecular 454 NUJGJRNETVAIRJ-UHFFFAOYSA-N CCCCCCCC=O
Butanal 123-72-8 Monomolecular 261 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N CCCC=O
Butyl Acetate 123-86-4 Monomolecular 31272 DKPFZGUDAPQIHT-UHFFFAOYSA-N CCCCOC(=O)C
Butyl butyrate 109-21-7 Monomolecular 7983 XUPYJHCZDLZNFP-UHFFFAOYSA-N CCCCOC(=O)CCC
Hexyl hexanoate 6378-65-0 Monomolecular 22873 NCDCLPBOMHPFCV-UHFFFAOYSA-N CCCCCCOC(=O)CCCCC
Hexyl butyrate 2639-63-6 Monomolecular 17525 XAPCMTMQBXLDBB-UHFFFAOYSA-N CCCCCCOC(=O)CCC
trans-2-HEXENYL BUTYRATE 53398-83-7 Monomolecular 5352461 PCGACKLJNBBQGM-VOTSOKGWSA-N CCC/C=C/COC(=O)CCC
2,3-Butanediol 513-85-9 Sum of Isomers 262 OWBTYPJTUOEWEK-UHFFFAOYSA-N CC(C(C)O)O
4-Methylcyclohexanol 589-91-3 Sum of Isomers 11524 MQWCXKGKQLNYQG-UHFFFAOYSA-N CC1CCC(CC1)O
Pentadecane 629-62-9 Monomolecular 12391 YCOZIPAWZNQLMR-UHFFFAOYSA-N CCCCCCCCCCCCCCC
Pentanal 110-62-3 Monomolecular 8063 HGBOYTHUEUWSSQ-UHFFFAOYSA-N CCCCC=O
1-Dodecanol 112-53-8 Monomolecular 8193 LQZZUXJYWNFBMV-UHFFFAOYSA-N CCCCCCCCCCCCO
2-Acetylthiazole 24295-03-2 Monomolecular 520108 MOMFXATYAINJML-UHFFFAOYSA-N CC(=O)C1=NC=CS1
2-Pentanone 107-87-9 Monomolecular 7895 XNLICIUVMPYHGG-UHFFFAOYSA-N CCCC(=O)C
2-Octanone 111-13-7 Monomolecular 8093 ZPVFWPFBNIEHGJ-UHFFFAOYSA-N CCCCCCC(=O)C
3-Octanone 106-68-3 Monomolecular 246728 RHLVCLIPMVJYKS-UHFFFAOYSA-N CCCCCC(=O)CC
Ethyl Propionate 105-37-3 Monomolecular 7749 FKRCODPIKNYEAC-UHFFFAOYSA-N CCC(=O)OCC
Nonyl Acetate 143-13-5 Monomolecular 8918 GJQIMXVRFNLMTB-UHFFFAOYSA-N CCCCCCCCCOC(=O)C
4-Ethylbenzaldehyde 4748-78-1 Monomolecular 20861 QNGNSVIICDLXHT-UHFFFAOYSA-N CCC1=CC=C(C=C1)C=O
Benzyl acetate 140-11-4 Monomolecular 8785 QUKGYYKBILRGFE-UHFFFAOYSA-N CC(=O)OCC1=CC=CC=C1
Ethyl benzoate 93-89-0 Monomolecular 7165 MTZQAGJQAFMTAQ-UHFFFAOYSA-N CCOC(=O)C1=CC=CC=C1
Salicylaldehyde 90-02-8 Monomolecular 6998 SMQUZDBALVYZAC-UHFFFAOYSA-N C1=CC=C(C(=C1)C=O)O
2-Phenylethyl Acetate 103-45-7 Monomolecular 7654 MDHYEMXUFSJLGV-UHFFFAOYSA-N CC(=O)OCCC1=CC=CC=C1
Linalyl Acetate 115-95-7 Sum of Isomers 8294 UWKAYLJWKGQEPM-UHFFFAOYSA-N CC(=CCCC(C)(C=C)OC(=O)C)C
Methyl phenylacetate 101-41-7 Monomolecular 7559 CRZQGDNQQAALAY-UHFFFAOYSA-N COC(=O)CC1=CC=CC=C1
2-Phenylethanol 1960-12-08 Monomolecular 6054 WRMNZCZEMHIOCP-UHFFFAOYSA-N C1=CC=C(C=C1)CCO
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