New Database Available - Released on 11/08/2026.
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molecules
Showing 31 to 60 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Eugenol 97-53-0 Monomolecular 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(C=CC(=C1)CC=C)O
Geraniol 106-24-1 Monomolecular 637566 GLZPCOQZEFWAFX-JXMROGBWSA-N CC(=CCC/C(=C/CO)/C)C
Linalool 78-70-6 Sum of Isomers 6549 CDOSHBSSFJOMGT-UHFFFAOYSA-N CC(=CCCC(C)(C=C)O)C
Farnesol 4602-84-0 Monomolecular 445070 CRDAMVZIKSXKFV-YFVJMOTDSA-N CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
cis-3-HEXENYL ACETATE 3681-71-8 Monomolecular 5363388 NPFVOOAXDOBMCE-PLNGDYQASA-N CC/C=C\CCOC(=O)C
Methyl Salicylate 119-36-8 Monomolecular 4133 OSWPMRLSEDHDFF-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1O
Methyl Benzoate 93-58-3 Monomolecular 7150 QPJVMBTYPHYUOC-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1
(-)-methyl jasmonate 1211-29-6 Monomolecular 5281929 GEWDNTWNSAZUDX-WQMVXFAESA-N CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC
Acetophenone 98-86-2 Monomolecular 7410 KWOLFJPFCHCOCG-UHFFFAOYSA-N CC(=O)C1=CC=CC=C1
6-Methyl-5-hepten-2-one 110-93-0 Monomolecular 9862 UHEPJGULSIKKTP-UHFFFAOYSA-N CC(=CCCC(=O)C)C
1-Butanol 71-36-3 Monomolecular 263 LRHPLDYGYMQRHN-UHFFFAOYSA-N CCCCO
1-Octen-3-Ol 3391-86-4 Sum of Isomers 18827 VSMOENVRRABVKN-UHFFFAOYSA-N CCCCCC(C=C)O
Butanedione 431-03-8 Monomolecular 650 QSJXEFYPDANLFS-UHFFFAOYSA-N CC(=O)C(=O)C
O-Cresol 95-48-7 Monomolecular 335 QWVGKYWNOKOFNN-UHFFFAOYSA-N CC1=CC=CC=C1O
3-Octanol 589-98-0 Sum of Isomers 11527 NMRPBPVERJPACX-UHFFFAOYSA-N CCCCCC(CC)O
Methyleugenol 93-15-2 Monomolecular 7127 ZYEMGPIYFIJGTP-UHFFFAOYSA-N COC1=C(C=C(C=C1)CC=C)OC
Anisole 100-66-3 Monomolecular 7519 RDOXTESZEPMUJZ-UHFFFAOYSA-N COC1=CC=CC=C1
P-Cresol 106-44-5 Monomolecular 2879 IWDCLRJOBJJRNH-UHFFFAOYSA-N CC1=CC=C(C=C1)O
Carbon Dioxide 124-38-9 Monomolecular 280 CURLTUGMZLYLDI-UHFFFAOYSA-N C(=O)=O
Cyclohexanone 108-94-1 Monomolecular 7967 JHIVVAPYMSGYDF-UHFFFAOYSA-N C1CCC(=O)CC1
trans-2-Hexenal 6728-26-3 Monomolecular 5281168 MBDOYVRWFFCFHM-SNAWJCMRSA-N CCC/C=C/C=O
Ethyl butyrate 105-54-4 Monomolecular 7762 OBNCKNCVKJNDBV-UHFFFAOYSA-N CCCC(=O)OCC
Geranyl Acetate 105-87-3 Monomolecular 1549026 HIGQPQRQIQDZMP-DHZHZOJOSA-N CC(=CCC/C(=C/COC(=O)C)/C)C
Isoamyl Acetate 123-92-2 Monomolecular 31276 MLFHJEHSLIIPHL-UHFFFAOYSA-N CC(C)CCOC(=O)C
Octyl Acetate 112-14-1 Monomolecular 8164 YLYBTZIQSIBWLI-UHFFFAOYSA-N CCCCCCCCOC(=O)C
Amyl Acetate 628-63-7 Monomolecular 12348 PGMYKACGEOXYJE-UHFFFAOYSA-N CCCCCOC(=O)C
Propionic Acid 79-09-4 Monomolecular 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N CCC(=O)O
Propyl Acetate 109-60-4 Monomolecular 7997 YKYONYBAUNKHLG-UHFFFAOYSA-N CCCOC(=O)C
1-Pentanol 71-41-0 Monomolecular 6276 AMQJEAYHLZJPGS-UHFFFAOYSA-N CCCCCO
2,5-Dimethylpyrazine 123-32-0 Monomolecular 31252 LCZUOKDVTBMCMX-UHFFFAOYSA-N CC1=CN=C(C=N1)C
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