New Database Available - Released on 11/08/2026.
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molecules
Showing 421 to 450 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2-Hexenoic acid, (2E)- 13419-69-7 Monomolecular 5282707 NIONDZDPPYHYKY-SNAWJCMRSA-N CCC/C=C/C(=O)O
Lactamide 2043-43-8 Sum of Isomers 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N CC(C(=O)N)O
2-Isopropyl-5-methyl-2-hexenal 35158-25-9 Sum of Isomers 37066 IOLQAHFPDADCHJ-UHFFFAOYSA-N CC(C)CC=C(C=O)C(C)C
4-Propylguaiacol 2785-87-7 Monomolecular 17739 PXIKRTCSSLJURC-UHFFFAOYSA-N CCCC1=CC(=C(C=C1)O)OC
2-Methoxybenzyl alcohol 612-16-8 Monomolecular 69154 WYLYBQSHRJMURN-UHFFFAOYSA-N COC1=CC=CC=C1CO
2-Methyl-3-pentanone 565-69-5 Monomolecular 11265 HYTRYEXINDDXJK-UHFFFAOYSA-N CCC(=O)C(C)C
2-Isopropyl-5-methylpyrazine 13925-05-8 Monomolecular 61700 PGTQKVQDZHXLOP-UHFFFAOYSA-N CC1=CN=C(C=N1)C(C)C
N-((2-methylphenyl)methylidene)hydroxylamine 14683-79-5 Monomolecular 6904185 ARLLNMVPNCXCIM-RMKNXTFCSA-N CC1=CC=CC=C1/C=N/O
2-Methylbutanoic Acid 116-53-0 Sum of Isomers 8314 WLAMNBDJUVNPJU-UHFFFAOYSA-N CCC(C)C(=O)O
2-Octyn-1-ol 20739-58-6 Monomolecular 140750 TTWYFVOMGMBZCF-UHFFFAOYSA-N CCCCCC#CCO
2-Tridecanone 593-08-8 Monomolecular 11622 CYIFVRUOHKNECG-UHFFFAOYSA-N CCCCCCCCCCCC(=O)C
2-Undecanone 112-12-9 Monomolecular 8163 KYWIYKKSMDLRDC-UHFFFAOYSA-N CCCCCCCCCC(=O)C
3,4,5-Trimethoxyphenol 642-71-7 Monomolecular 69505 VTCDZPUMZAZMSB-UHFFFAOYSA-N COC1=CC(=CC(=C1OC)OC)O
1-(3,5-Dimethoxyphenyl)ethan-1-one 39151-19-4 Monomolecular 95997 YJKHOUIVWKQRSL-UHFFFAOYSA-N CC(=O)C1=CC(=CC(=C1)OC)OC
3,5-Dimethyloctane 15869-93-9 Sum of Isomers 139989 VRHRGVJOUHJULC-UHFFFAOYSA-N CCCC(C)CC(C)CC
3-Methoxyacetophenone 586-37-8 Monomolecular 11460 BAYUSCHCCGXLAY-UHFFFAOYSA-N CC(=O)C1=CC(=CC=C1)OC
Prenyl acetate 1191-16-8 Monomolecular 14489 XXIKYCPRDXIMQM-UHFFFAOYSA-N CC(=CCOC(=O)C)C
3-Methylbutanal 590-86-3 Monomolecular 11552 YGHRJJRRZDOVPD-UHFFFAOYSA-N CC(C)CC=O
N-(4-Oxocyclohexyl)acetamide 27514-08-5 Monomolecular 538565 WZEMYWNHKFIVKE-UHFFFAOYSA-N CC(=O)NC1CCC(=O)CC1
4-Heptanol 589-55-9 Monomolecular 11513 YVBCULSIZWMTFY-UHFFFAOYSA-N CCCC(CCC)O
4-Phenylpyridine 939-23-1 Monomolecular 13651 JVZRCNQLWOELDU-UHFFFAOYSA-N C1=CC=C(C=C1)C2=CC=NC=C2
4-Vinylphenol 2628-17-3 Monomolecular 62453 FUGYGGDSWSUORM-UHFFFAOYSA-N C=CC1=CC=C(C=C1)O
3,4-Dimethoxystyrene 6380-23-0 Monomolecular 61400 NJXYTXADXSRFTJ-UHFFFAOYSA-N COC1=C(C=C(C=C1)C=C)OC
5-Hexenenitrile 5048-19-1 Monomolecular 123222 UNAQSRLBVVDYGP-UHFFFAOYSA-N C=CCCCC#N
5-Methyl-2-hepten-4-one 81925-81-7 Sum of Isomers 5362588 ARJWAURHQDJJAC-GQCTYLIASA-N CCC(C)C(=O)/C=C/C
Acetylacetone 123-54-6 Monomolecular 31261 YRKCREAYFQTBPV-UHFFFAOYSA-N CC(=O)CC(=O)C
Alcopol FL 38916-42-6 Sum of Isomers 38164 XZPMQCKVOWVETG-UHFFFAOYSA-J CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O ...
alpha-Pinene oxide 1686-14-2 Sum of Isomers 91508 NQFUSWIGRKFAHK-UHFFFAOYSA-N CC1(C2CC1C3(C(C2)O3)C)C
Benzenepropanenitrile 645-59-0 Monomolecular 12581 ACRWYXSKEHUQDB-UHFFFAOYSA-N C1=CC=C(C=C1)CCC#N
Benzoic Acid 65-85-0 Monomolecular 243 WPYMKLBDIGXBTP-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)O
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