New Database Available - Released on 29/09/2026.
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molecules
Showing 721 to 750 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Jasmolin I 4466-14-2 Monomolecular 12304687 NZKIRHFOLVYKFT-VUMXUWRFSA-N CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C ...
Jasmolin II 1172-63-0 Monomolecular 12304690 WKNSDDMJXANVMK-XIGJTORUSA-N CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C ...
Ketoisophorone 1125-21-9 Monomolecular 62374 AYJXHIDNNLJQDT-UHFFFAOYSA-N CC1=CC(=O)CC(C1=O)(C)C
(e)-1-Myrcenol N.A. Monomolecular 129776036 BUCFFRHSIYDTJQ-BQYQJAHWSA-N CC(=CCCC(=C)/C=C/O)C
(1R,5S)-1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane, (-)-Frontalin 57917-96-1, 28401-39-0 Mixture 10080510, 10888022 AZWKCIZRVUVZPX-SFYZADRCSA-N, AZWKCIZRVUVZPX-JGVFFN ... C[C@]12CCC[C@](O1)(OC2)C, C[C@@]12CCC[C@ ...
3,7-Dimethylocta-2,6-Dienal N.A. Sum of Isomers 8843 WTEVQBCEXWBHNA-UHFFFAOYSA-N CC(=CCCC(=CC=O)C)C
(-)-Ipsenol 35628-05-8 Monomolecular 93186 RHAXCOKCIAVHPB-JTQLQIEISA-N CC(C)C[C@@H](CC(=C)C=C)O
(+-)-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
Dibutyl Phthalate 84-74-2 Monomolecular 3026 DOIRQSBPFJWKBE-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Methyl Anthranilate 134-20-3 Monomolecular 8635 VAMXMNNIEUEQDV-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1N
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