New Database Available - Released on 29/09/2026.
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molecules
Showing 541 to 570 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Myrtenol, (-)- 19894-97-4 Monomolecular 88301 RXBQNMWIQKOSCS-IUCAKERBSA-N CC1([C@H]2CC=C([C@@H]1C2)CO)C
Ocimene 29714-87-2 Monomolecular 6434062 PMRMCTRIVCIICU-LQPGMRSMSA-N CC(C)/C=C/C=C(\C)/C=C
Cumene 98-82-8 Monomolecular 7406 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1
Methyl 2-Methoxybenzoate 606-45-1 Monomolecular 61151 PFYHAAAQPNMZHO-UHFFFAOYSA-N COC1=CC=CC=C1C(=O)OC
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
2-Methyl-6-methylene-7-octen-4-ol 14314-21-7 Sum of Isomers 85712 RHAXCOKCIAVHPB-UHFFFAOYSA-N CC(C)CC(CC(=C)C=C)O
6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl- 60478-96-8 Sum of Isomers 34235 AZWKCIZRVUVZPX-UHFFFAOYSA-N CC12CCCC(O1)(OC2)C
(z)-6-Nonen-2-ol N.A. Sum of Isomers 12835464 QDFDXJMZVKJYKY-PLNGDYQASA-N CC/C=C\CCCC(C)O
11-Tetradecen-1-ol, (11E)- 35153-18-5 Monomolecular 1712011 YGHAIPJLMYTNAI-ONEGZZNKSA-N CC/C=C/CCCCCCCCCCO
11-Tetradecenal, (11Z)- 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
Lead diacetate 301-04-2 Monomolecular 9317 GUWSLQUAAYEZAF-UHFFFAOYSA-L CC(=O)[O-].CC(=O)[O-].[Pb+2]
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
9Z,11Z-Tetradecadien-1-ol N.A. Monomolecular 13699785 ZKCFLTTYWFSLDK-OUPQRBNQSA-N CC/C=C\C=C/CCCCCCCCO
Hexenal 1335-39-3 Sum of Isomers 10460 MBDOYVRWFFCFHM-UHFFFAOYSA-N CCCC=CC=O
Butyl salicylate 2052-14-4 Monomolecular 16330 YFDUWSBGVPBWKF-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1O
Methylparaben 99-76-3 Monomolecular 7456 LXCFILQKKLGQFO-UHFFFAOYSA-N COC(=O)C1=CC=C(C=C1)O
(E)-Tetradec-12-enyl acetate 35153-21-0 Monomolecular 5365773 CRJBZFQLVNBSHX-ONEGZZNKSA-N C/C=C/CCCCCCCCCCCOC(=O)C
Z-12-tetradecenyl acetate N.A. Monomolecular 341307177 N.A. N.A.
Ammonia 7664-41-7 Monomolecular 222 QGZKDVFQNNGYKY-UHFFFAOYSA-N N
1-Octen-3-yl acetate 2442-10-6 Sum of Isomers 17121 DOJDQRFOTHOBEK-UHFFFAOYSA-N CCCCCC(C=C)OC(=O)C
trans-2-Methyl-2-butenal 497-03-0 Monomolecular 5321950 ACWQBUSCFPJUPN-HWKANZROSA-N C/C=C(\C)/C=O
P-Menthane-3,8-diol 42822-86-6 Sum of Isomers 556998 LMXFTMYMHGYJEI-UHFFFAOYSA-N CC1CCC(C(C1)O)C(C)(C)O
Heptyl acetate 112-06-1 Monomolecular 8159 ZCZSIDMEHXZRLG-UHFFFAOYSA-N CCCCCCCOC(=O)C
Ethyl Lactate 97-64-3 Sum of Isomers 7344 LZCLXQDLBQLTDK-UHFFFAOYSA-N CCOC(=O)C(C)O
Ethyl phenylacetate 101-97-3 Monomolecular 7590 DULCUDSUACXJJC-UHFFFAOYSA-N CCOC(=O)CC1=CC=CC=C1
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