New Database Available - Released on 02/10/2026.
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molecules
Showing 301 to 330 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
3-Nonanone 925-78-0 Monomolecular 61235 IYTXKIXETAELAV-UHFFFAOYSA-N CCCCCCC(=O)CC
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
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
Tritriacontane 630-05-7 Monomolecular 12411 SUJUOAZFECLBOA-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Tetratriacontane 14167-59-0 Monomolecular 26519 GWVDBZWVFGFBCN-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Hexatriacontane 2040-92-8 Monomolecular 12412 YDLYQMBWCWFRAI-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Heptatriacontane 7194-84-5 Monomolecular 23598 PXEZIKSRSYGOED-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(±)-Ethyl 3-Hydroxyhexanoate 2305-25-1 Sum of Isomers 61293 LYRIITRHDCNUHV-UHFFFAOYSA-N CCCC(CC(=O)OCC)O
2-Hexanone 591-78-6 Monomolecular 11583 QQZOPKMRPOGIEB-UHFFFAOYSA-N CCCCC(=O)C
γ-Valerolactone 108-29-2 Sum of Isomers 7921 GAEKPEKOJKCEMS-UHFFFAOYSA-N CC1CCC(=O)O1
Decyl acetate 112-17-4 Monomolecular 8167 NUPSHWCALHZGOV-UHFFFAOYSA-N CCCCCCCCCCOC(=O)C
Menthone 89-80-5 Monomolecular 26447 NFLGAXVYCFJBMK-BDAKNGLRSA-N C[C@@H]1CC[C@H](C(=O)C1)C(C)C
(±)-Myrtenal 564-94-3 Sum of Isomers 61130 KMRMUZKLFIEVAO-UHFFFAOYSA-N CC1(C2CC=C(C1C2)C=O)C
Thujone 546-80-5 Monomolecular 261491 USMNOWBWPHYOEA-MRTMQBJTSA-N C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
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