New Database Available - Released on 29/09/2026.
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molecules
Showing 451 to 480 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Tritriacontane 630-05-7 Monomolecular 12411 SUJUOAZFECLBOA-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Tetratriacontane 14167-59-0 Monomolecular 26519 GWVDBZWVFGFBCN-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Pentatriacontane 630-07-9 Monomolecular 12413 VHQQPFLOGSTQPC-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Hexatriacontane 2040-92-8 Monomolecular 12412 YDLYQMBWCWFRAI-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Heptatriacontane 7194-84-5 Monomolecular 23598 PXEZIKSRSYGOED-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
2-Methyloctacosane 1560-98-1 Monomolecular 519147 YGCGPCUUTAKOEU-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
Nonacos-9-ene N.A. Sum of Isomers 25201187 LPRICKRYSNFONS-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCC=CCCCCCCCC
3-Methylnonacosane 14167-67-0 Sum of Isomers 85691 DCKPETUZJQNEBD-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
13-Methylnonacosane 7371-98-4 Sum of Isomers 522504 LKHFDNVPHQRIMQ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC
15-Methylnonacosane 65820-60-2 Monomolecular 6430405 CLFARDZXUOCEGI-UHFFFAOYSA-N CCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
Triacotane, 2-methyl- 1560-72-1 Monomolecular 73796 XXXQDPROWGQIIR-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
Hentriacont-9-ene N.A. Sum of Isomers 25201544 LYSGEHYFDZAOAX-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCC
5-Methylhentriacontane 71502-24-4 Sum of Isomers 527410 LRFHJFYLGVEQSB-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC
13-Methylhentriacontane 33116-06-2 Sum of Isomers 530409 YABDGBBPSIKJMX-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC
ChiRYun N.A. Monomolecular 389617 LMCPFFPDMJWFKE-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)NCCCCNCCCNC(=O)C2=CC=C ...
13,23-Dimethylheptatriacontane N.A. Sum of Isomers 6430404 BDNZFJYVVXMFBV-UHFFFAOYSA-N CCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCC ...
Propyl propionate 106-36-5 Monomolecular 7803 MCSINKKTEDDPNK-UHFFFAOYSA-N CCCOC(=O)CC
ethyl (3R)-3-hydroxybutanoate 24915-95-5 Monomolecular 440030 OMSUIQOIVADKIM-RXMQYKEDSA-N CCOC(=O)C[C@@H](C)O
(+)-Ethyl 3-hydroxybutyrate 56816-01-4 Monomolecular 6950306 OMSUIQOIVADKIM-YFKPBYRVSA-N CCOC(=O)C[C@H](C)O
Methyl pentanoate 624-24-8 Monomolecular 12206 HNBDRPTVWVGKBR-UHFFFAOYSA-N CCCCC(=O)OC
Methyl 3-hydroxyhexanoate 21188-58-9 Sum of Isomers 519845 ACCRBMDJCPPJDX-UHFFFAOYSA-N CCCC(CC(=O)OC)O
(±)-Ethyl 3-Hydroxyhexanoate 2305-25-1 Sum of Isomers 61293 LYRIITRHDCNUHV-UHFFFAOYSA-N CCCC(CC(=O)OCC)O
Methyl heptanoate 106-73-0 Monomolecular 7826 XNCNNDVCAUWAIT-UHFFFAOYSA-N CCCCCCC(=O)OC
Ethyl heptanoate 106-30-9 Monomolecular 7797 TVQGDYNRXLTQAP-UHFFFAOYSA-N CCCCCCC(=O)OCC
3-Penten-2-one 3102-33-8 Monomolecular 637920 LABTWGUMFABVFG-ONEGZZNKSA-N C/C=C/C(=O)C
2-Hexanone 591-78-6 Monomolecular 11583 QQZOPKMRPOGIEB-UHFFFAOYSA-N CCCCC(=O)C
3-Hexanone 589-38-8 Monomolecular 11509 PFCHFHIRKBAQGU-UHFFFAOYSA-N CCCC(=O)CC
β-Butyrolactone 3068-88-0 Sum of Isomers 18303 GSCLMSFRWBPUSK-UHFFFAOYSA-N CC1CC(=O)O1
γ-Valerolactone 108-29-2 Sum of Isomers 7921 GAEKPEKOJKCEMS-UHFFFAOYSA-N CC1CCC(=O)O1
4-Methoxybenzaldehyde 123-11-5 Monomolecular 31244 ZRSNZINYAWTAHE-UHFFFAOYSA-N COC1=CC=C(C=C1)C=O
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