New Database Available - Released on 11/08/2026.
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molecules
Showing 331 to 360 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2,4-dimethylthiazole 541-58-2 Monomolecular 10934 OBSLLHNATPQFMJ-UHFFFAOYSA-N CC1=CSC(=N1)C
4-propylbenzaldehyde 28785-06-0 Monomolecular 120047 MAUCRURSQMOFGV-UHFFFAOYSA-N CCCC1=CC=C(C=C1)C=O
Butylamine 109-73-9 Monomolecular 8007 HQABUPZFAYXKJW-UHFFFAOYSA-N CCCCN
Oleic acid 112-80-1 Monomolecular 445639 ZQPPMHVWECSIRJ-KTKRTIGZSA-N CCCCCCCC/C=C\CCCCCCCC(=O)O
Dimethyl disulfide 624-92-0 Monomolecular 12232 WQOXQRCZOLPYPM-UHFFFAOYSA-N CSSC
Pentylamine 110-58-7 Monomolecular 8060 DPBLXKKOBLCELK-UHFFFAOYSA-N CCCCCN
(S)-1-octen-3-ol 24587-53-9 Monomolecular 2724898 VSMOENVRRABVKN-MRVPVSSYSA-N CCCCC[C@@H](C=C)O
Undecanoic acid 112-37-8 Monomolecular 8180 ZDPHROOEEOARMN-UHFFFAOYSA-N CCCCCCCCCCC(=O)O
(-)-borneol 464-45-9 Monomolecular 1201518 DTGKSKDOIYIVQL-QXFUBDJGSA-N C[C@]12CC[C@H](C1(C)C)C[C@H]2O
(-)-myrtenol 19894-97-4 Monomolecular 88301 RXBQNMWIQKOSCS-IUCAKERBSA-N CC1([C@H]2CC=C([C@@H]1C2)CO)C
(-)-linalool 126-91-0 Monomolecular 443158 CDOSHBSSFJOMGT-JTQLQIEISA-N CC(=CCC[C@](C)(C=C)O)C
Ocimene 29714-87-2 Monomolecular 6434062 PMRMCTRIVCIICU-LQPGMRSMSA-N CC(C)/C=C/C=C(\C)/C=C
1-aminoanthracene 610-49-1 Monomolecular 11885 YUENFNPLGJCNRB-UHFFFAOYSA-N C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N
2-Pentadecanone 2345-28-0 Monomolecular 61303 CJPNOLIZCWDHJK-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)C
Cumene 98-82-8 Monomolecular 7406 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1
I2-Ionone 79-77-6 Monomolecular 638014 PSQYTAPXSHCGMF-BQYQJAHWSA-N CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
4-oxo-(E)-2-hexenal 2492-43-5 Monomolecular 6365145 GVKYFODEMNCLGS-ONEGZZNKSA-N CCC(=O)/C=C/C=O
M-xylene 108-38-3 Monomolecular 7929 IVSZLXZYQVIEFR-UHFFFAOYSA-N CC1=CC(=CC=C1)C
Octyl butyrate 110-39-4 Monomolecular 61030 PWLNAUNEAKQYLH-UHFFFAOYSA-N CCCCCCCCOC(=O)CCC
Heptyl butyrate 5870-93-9 Monomolecular 62592 JPQHLIYIQARLQM-UHFFFAOYSA-N CCCCCCCOC(=O)CCC
Chalcogran 38401-84-2 Sum of Isomers 581383 DCWKALWZHORJAO-UHFFFAOYSA-N CCC1CCC2(O1)CCCO2
3-Methyl-2-butanol 598-75-4 Sum of Isomers 11732 MXLMTQWGSQIYOW-UHFFFAOYSA-N CC(C)C(C)O
Toluene 108-88-3 Monomolecular 1140 YXFVVABEGXRONW-UHFFFAOYSA-N CC1=CC=CC=C1
Dihydrobenzofuran 496-16-2 Monomolecular 10329 HBEDSQVIWPRPAY-UHFFFAOYSA-N C1COC2=CC=CC=C21
(z)-6-nonen-2-ol N.A. Sum of Isomers 12835464 QDFDXJMZVKJYKY-PLNGDYQASA-N CC/C=C\CCCC(C)O
(11E)-11-tetradecen-1-ol 35153-18-5 Monomolecular 1712011 YGHAIPJLMYTNAI-ONEGZZNKSA-N CC/C=C/CCCCCCCCCCO
(11Z)-11-tetradecenal 35237-64-0 Monomolecular 6427099 SPFYVVCZIOLVOK-ARJAWSKDSA-N CC/C=C\CCCCCCCCCC=O
Cis-11-tetradecenol 34010-15-6 Monomolecular 1712010 YGHAIPJLMYTNAI-ARJAWSKDSA-N CC/C=C\CCCCCCCCCCO
6z-nonen-2-one N.A. Monomolecular 11105450 TVHAWOPAFXXIQM-PLNGDYQASA-N CC/C=C\CCCC(=O)C
Tetradeca-9,11-dienal 100496-44-4 Sum of Isomers 54066944 MDQSKCQQGXJOMN-UHFFFAOYSA-N CCC=CC=CCCCCCCCC=O
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