New Database Available - Released on 11/08/2026.
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molecules
Showing 541 to 570 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2-Carene, (+)- 4497-92-1 Monomolecular 78249 IBVJWOMJGCHRRW-BDAKNGLRSA-N CC1=C[C@H]2[C@H](C2(C)C)CC1
1-Dodecene 112-41-4 Monomolecular 8183 CRSBERNSMYQZNG-UHFFFAOYSA-N CCCCCCCCCCC=C
Farnesene, beta-Farnesene 502-61-4, 18794-84-8 Mixture 5281516 and 5281517 CXENHBSYCFFKJS-VDQVFBMKSA-N, JSNRRGGBADWTMC-NTCAYC ... CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C, CC(=CCC ...
alpha-PHELLANDRENE 99-83-2 Sum of Isomers 7460 OGLDWXZKYODSOB-UHFFFAOYSA-N CC1=CCC(C=C1)C(C)C
4,8-Dimethyl-1,3,7-nonatriene 51911-82-1 Sum of Isomers 103555 LUKZREJJLWEWQM-UHFFFAOYSA-N CC(=CCCC(=CC=C)C)C
beta-Guaiene 88-84-6 Monomolecular 15560252 GIBQERSGRNPMEH-RYUDHWBXSA-N C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C
Farnesyl acetate 29548-30-9 Sum of Isomers 94403 ZGIGZINMAOQWLX-UHFFFAOYSA-N CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C
Bornyl acetate, (-)- 5655-61-8 Monomolecular 93009 KGEKLUUHTZCSIP-HOSYDEDBSA-N CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C
Limonene-1,2-epoxide 203719-54-4 Sum of Isomers 441245 CCEFMUBVSUDRLG-XNWIYYODSA-N CC(=C)[C@@H]1CCC2(C(C1)O2)C
Citronellyl Acetate 150-84-5 Sum of Isomers 9017 JOZKFWLRHCDGJA-UHFFFAOYSA-N CC(CCC=C(C)C)CCOC(=O)C
(Z)-2-Penten-1-ol 1576-95-0 Monomolecular 5364919 BTSIZIIPFNVMHF-ARJAWSKDSA-N CC/C=C\CO
2-Buten-1-ol 6117-91-5 Sum of Isomers 20024 WCASXYBKJHWFMY-UHFFFAOYSA-N CC=CCO
6-Nonen-1-ol, (6Z)- 35854-86-5 Monomolecular 5362792 XJHRZBIBSSVCEL-ARJAWSKDSA-N CC/C=C\CCCCCO
1-Decanol 112-30-1 Monomolecular 8174 MWKFXSUHUHTGQN-UHFFFAOYSA-N CCCCCCCCCCO
2-Butyl-1-octanol 3913-02-8 Sum of Isomers 19800 XMVBHZBLHNOQON-UHFFFAOYSA-N CCCCCCC(CCCC)CO
Diethylene Glycol Monoethyl Ether 111-90-0 Monomolecular 8146 XXJWXESWEXIICW-UHFFFAOYSA-N CCOCCOCCO
Butyl hexanoate 626-82-4 Monomolecular 12294 RPRPDTXKGSIXMD-UHFFFAOYSA-N CCCCCC(=O)OCCCC
Propyl hexanoate 626-77-7 Monomolecular 12293 HTUIWRWYYVBCFT-UHFFFAOYSA-N CCCCCC(=O)OCCC
Hexyl propionate 2445-76-3 Monomolecular 88454 GOKKOFHHJFGZHW-UHFFFAOYSA-N CCCCCCOC(=O)CC
cis-3-Hexenyl butanoate 16491-36-4 Monomolecular 5352438 ZCHOPXVYTWUHDS-WAYWQWQTSA-N CCCC(=O)OCC/C=C\CC
cis-3-Hexenyl salicylate 65405-77-8 Monomolecular 6021887 IEPWIPZLLIOZLU-ONEGZZNKSA-N CC/C=C/CCOC(=O)C1=CC=CC=C1O
3-Hexenyl 2-methylbutyrate, (3Z)- 53398-85-9 Sum of Isomers 5365069 JKKGTSUICJWEKB-SREVYHEPSA-N CC/C=C\CCOC(=O)C(C)CC
3-Hexenyl isovalerate, (3Z)- 35154-45-1 Monomolecular 5367681 AIQLNKITFBJPFO-WAYWQWQTSA-N CC/C=C\CCOC(=O)CC(C)C
Hex-3Z-enyl hex-3Z-enoate 61444-38-0 Monomolecular 6435882 UZJQQWFHPLYECS-SFECMWDFSA-N CC/C=C\CCOC(=O)C/C=C\CC
Isoamyl butyrate 106-27-4 Monomolecular 7795 PQLMXFQTAMDXIZ-UHFFFAOYSA-N CCCC(=O)OCCC(C)C
Isoamyl propionate 105-68-0 Monomolecular 7772 XAOGXQMKWQFZEM-UHFFFAOYSA-N CCC(=O)OCCC(C)C
Isoamyl isovalerate 659-70-1 Monomolecular 12613 XINCECQTMHSORG-UHFFFAOYSA-N CC(C)CCOC(=O)CC(C)C
Benzyl acetone 2550-26-7 Monomolecular 17355 AKGGYBADQZYZPD-UHFFFAOYSA-N CC(=O)CCC1=CC=CC=C1
Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate 39924-52-2 Sum of Isomers 62388 GEWDNTWNSAZUDX-UHFFFAOYSA-N CCC=CCC1C(CCC1=O)CC(=O)OC
cis-3-Hexenyl propionate 33467-74-2 Monomolecular 5365049 LGTLDEUQCOJGFP-WAYWQWQTSA-N CC/C=C\CCOC(=O)CC
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