New Database Available - Released on 29/09/2026.
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molecules
Showing 421 to 450 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Methyl Laurate 111-82-0 Monomolecular 8139 UQDUPQYQJKYHQI-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OC
Isobutanol 78-83-1 Monomolecular 6560 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N CC(C)CO
3-Heptanone 106-35-4 Monomolecular 7802 NGAZZOYFWWSOGK-UHFFFAOYSA-N CCCCC(=O)CC
3-Nonanone 925-78-0 Monomolecular 61235 IYTXKIXETAELAV-UHFFFAOYSA-N CCCCCCC(=O)CC
m-Ethylbenzaldehyde 34246-54-3 Monomolecular 118623 LLYXUFQXCNIGDG-UHFFFAOYSA-N CCC1=CC(=CC=C1)C=O
Butyl Benzoate 136-60-7 Monomolecular 8698 XSIFPSYPOVKYCO-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1
Linalyl Acetate 115-95-7 Sum of Isomers 8294 UWKAYLJWKGQEPM-UHFFFAOYSA-N CC(=CCCC(C)(C=C)OC(=O)C)C
Methyl phenylacetate 101-41-7 Monomolecular 7559 CRZQGDNQQAALAY-UHFFFAOYSA-N COC(=O)CC1=CC=CC=C1
Anethole 104-46-1 Monomolecular 637563 RUVINXPYWBROJD-ONEGZZNKSA-N C/C=C/C1=CC=C(C=C1)OC
2-Phenylethyl propionate 122-70-3 Monomolecular 31225 HVGZQCSMLUDISR-UHFFFAOYSA-N CCC(=O)OCCC1=CC=CC=C1
3-Ethyltoluene 620-14-4 Monomolecular 12100 ZLCSFXXPPANWQY-UHFFFAOYSA-N CCC1=CC=CC(=C1)C
Benzonitrile 100-47-0 Monomolecular 7505 JFDZBHWFFUWGJE-UHFFFAOYSA-N C1=CC=C(C=C1)C#N
3-Hexenyl benzoate, (3Z)- 25152-85-6 Monomolecular 5367706 BCOXBEHFBZOJJZ-ARJAWSKDSA-N CC/C=C\CCOC(=O)C1=CC=CC=C1
Benzyl Benzoate 120-51-4 Monomolecular 2345 SESFRYSPDFLNCH-UHFFFAOYSA-N C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
Benzylamine 100-46-9 Monomolecular 7504 WGQKYBSKWIADBV-UHFFFAOYSA-N C1=CC=C(C=C1)CN
(Z)-Hexadec-9-en-1-ol 10378-01-5 Monomolecular 5367661 LBIYNOAMNIKVKF-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCCO
Z-9-Hexadecen-1-ol acetate 34010-20-3 Monomolecular 5363285 VAKBQCYSUVICLV-HJWRWDBZSA-N CCCCCC/C=C\CCCCCCCCOC(=O)C
2-Isobutyl-3-methoxypyrazine 24683-00-9 Monomolecular 32594 UXFSPRAGHGMRSQ-UHFFFAOYSA-N CC(C)CC1=NC=CN=C1OC
Heptadecane 629-78-7 Monomolecular 12398 NDJKXXJCMXVBJW-UHFFFAOYSA-N CCCCCCCCCCCCCCCCC
Nonadecane 629-92-5 Monomolecular 12401 LQERIDTXQFOHKA-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCC
Eicosane 112-95-8 Monomolecular 8222 CBFCDTFDPHXCNY-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCC
Heneicosane 629-94-7 Monomolecular 12403 FNAZRRHPUDJQCJ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCC
Docosane 629-97-0 Monomolecular 12405 HOWGUJZVBDQJKV-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCC
Tricosane 638-67-5 Monomolecular 12534 FIGVVZUWCLSUEI-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCC
Tetracosane 646-31-1 Monomolecular 12592 POOSGDOYLQNASK-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCC
Pentacosane 629-99-2 Monomolecular 12406 YKNWIILGEFFOPE-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCC
Triacontane 638-68-6 Monomolecular 12535 JXTPJDDICSTXJX-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Nonacosane 630-03-5 Monomolecular 12409 IGGUPRCHHJZPBS-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Hentriacontane 630-04-6 Monomolecular 12410 IUJAMGNYPWYUPM-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Dotriacontane 544-85-4 Monomolecular 11008 QHMGJGNTMQDRQA-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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