New Database Available - Released on 02/10/2026.
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molecules
Showing 721 to 750 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
(Z)-11-Tetradecen-1-ol 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
9Z,11Z-Tetradecadienal N.A. Monomolecular 15927130 MDQSKCQQGXJOMN-OUPQRBNQSA-N CC/C=C\C=C/CCCCCCCC=O
9Z,11Z-Tetradecadien-1-ol N.A. Monomolecular 13699785 ZKCFLTTYWFSLDK-OUPQRBNQSA-N CC/C=C\C=C/CCCCCCCCO
(+-)-2-Butanol 78-92-2 Sum of Isomers 6568 BTANRVKWQNVYAZ-UHFFFAOYSA-N CCC(C)O
2-Nonen-1-ol 22104-79-6 Sum of Isomers 61896 NSSALFVIQPAIQK-UHFFFAOYSA-N CCCCCCC=CCO
2,4-Hexadienal 80466-34-8 Monomolecular 637564 BATOPAZDIZEVQF-MQQKCMAXSA-N C/C=C/C=C/C=O
Eugenyl Acetate 93-28-7 Monomolecular 7136 SCCDQYPEOIRVGX-UHFFFAOYSA-N CC(=O)OC1=C(C=C(C=C1)CC=C)OC
Isopropyl Myristate 110-27-0 Monomolecular 8042 AXISYYRBXTVTFY-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OC(C)C
1-Octen-3-one 4312-99-6 Monomolecular 61346 KLTVSWGXIAYTHO-UHFFFAOYSA-N CCCCCC(=O)C=C
P-Coumaric Acid 501-98-4 Monomolecular 637542 NGSWKAQJJWESNS-ZZXKWVIFSA-N C1=CC(=CC=C1/C=C/C(=O)O)O
2,4-Dimethylphenol 105-67-9 Monomolecular 7771 KUFFULVDNCHOFZ-UHFFFAOYSA-N CC1=CC(=C(C=C1)O)C
2,5-Dimethylphenol 95-87-4 Monomolecular 7267 NKTOLZVEWDHZMU-UHFFFAOYSA-N CC1=CC(=C(C=C1)C)O
2,6-Dimethylphenol 576-26-1 Monomolecular 11335 NXXYKOUNUYWIHA-UHFFFAOYSA-N CC1=C(C(=CC=C1)C)O
3,4-Dimethylphenol 95-65-8 Monomolecular 7249 YCOXTKKNXUZSKD-UHFFFAOYSA-N CC1=C(C=C(C=C1)O)C
Perillaldehyde, (-)- 18031-40-8 Monomolecular 2724159 RUMOYJJNUMEFDD-SNVBAGLBSA-N CC(=C)[C@H]1CCC(=CC1)C=O
Menthyl acetate 16409-45-3 Sum of Isomers 27867 XHXUANMFYXWVNG-UHFFFAOYSA-N CC1CCC(C(C1)OC(=O)C)C(C)C
delta-Cadinene 483-76-1 Monomolecular 441005 FUCYIEXQVQJBKY-ZFWWWQNUSA-N CC1=C[C@H]2[C@@H](CCC(=C2CC1)C)C(C)C
Limonene oxide 1195-92-2 Sum of Isomers 91496 CCEFMUBVSUDRLG-UHFFFAOYSA-N CC(=C)C1CCC2(C(C1)O2)C
alpha-METHYLCINNAMALDEHYDE 15174-47-7 Monomolecular 5372813 VLUMOWNVWOXZAU-VQHVLOKHSA-N C/C(=C\C1=CC=CC=C1)/C=O
Cinnamyl Alcohol 104-54-1 Monomolecular 5315892 OOCCDEMITAIZTP-QPJJXVBHSA-N C1=CC=C(C=C1)/C=C/CO
Terpinen-4-ol 562-74-3 Sum of Isomers 11230 WRYLYDPHFGVWKC-UHFFFAOYSA-N CC1=CCC(CC1)(C(C)C)O
Hydroxycitronellal 107-75-5 Sum of Isomers 7888 WPFVBOQKRVRMJB-UHFFFAOYSA-N CC(CCCC(C)(C)O)CC=O
Pyridine 110-86-1 Monomolecular 1049 JUJWROOIHBZHMG-UHFFFAOYSA-N C1=CC=NC=C1
2-Pyrrolidone 616-45-5 Monomolecular 12025 HNJBEVLQSNELDL-UHFFFAOYSA-N C1CC(=O)NC1
Methyl Anthranilate 134-20-3 Monomolecular 8635 VAMXMNNIEUEQDV-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1N
N-(2-isopropylphenyl)-3-methylbenzamide N.A. Monomolecular 723417 AYTFLSQNGZIPTI-UHFFFAOYSA-N CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2C(C)C
(Z)-5-Decenyl acetate 67446-07-5 Monomolecular 5363513 VTUFOIHYMMMNOM-SREVYHEPSA-N CCCC/C=C\CCCCOC(=O)C
Dodecyl acetate 112-66-3 Monomolecular 8205 VZWGRQBCURJOMT-UHFFFAOYSA-N CCCCCCCCCCCCOC(=O)C
7-Dodecen-1-ol, 1-acetate, (7E)- 16695-41-3 Monomolecular 5352789 MUZGQHWTRUVFLG-VOTSOKGWSA-N CCCC/C=C/CCCCCCOC(=O)C
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