New Database Available - Released on 29/09/2026.
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molecules
Showing 151 to 180 of 763 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
4-Vinylguaiacol 7786-61-0 Monomolecular 332 YOMSJEATGXXYPX-UHFFFAOYSA-N COC1=C(C=CC(=C1)C=C)O
2-Methoxybenzyl alcohol 612-16-8 Monomolecular 69154 WYLYBQSHRJMURN-UHFFFAOYSA-N COC1=CC=CC=C1CO
2-Methyl-1-butanol 137-32-6 Sum of Isomers 8723 QPRQEDXDYOZYLA-UHFFFAOYSA-N CCC(C)CO
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-Methylbutyl Acetate 624-41-9 Sum of Isomers 12209 XHIUFYZDQBSEMF-UHFFFAOYSA-N CCC(C)COC(=O)C
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-Pentadecanone 2345-28-0 Monomolecular 61303 CJPNOLIZCWDHJK-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)C
2-Pentanone 107-87-9 Monomolecular 7895 XNLICIUVMPYHGG-UHFFFAOYSA-N CCCC(=O)C
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
3-Carene 13466-78-9 Sum of Isomers 26049 BQOFWKZOCNGFEC-UHFFFAOYSA-N CC1=CCC2C(C1)C2(C)C
3-Methyl-2-butanol 598-75-4 Sum of Isomers 11732 MXLMTQWGSQIYOW-UHFFFAOYSA-N CC(C)C(C)O
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
3-Octanol 589-98-0 Sum of Isomers 11527 NMRPBPVERJPACX-UHFFFAOYSA-N CCCCCC(CC)O
3-Pentanol 584-02-1 Monomolecular 11428 AQIXEPGDORPWBJ-UHFFFAOYSA-N CCC(CC)O
Ethyl ketone 96-22-0 Monomolecular 7288 FDPIMTJIUBPUKL-UHFFFAOYSA-N CCC(=O)CC
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
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