New Database Available - Released on 11/08/2026.
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molecules
Showing 241 to 270 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
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
Vuaa1 525582-84-7 Monomolecular 1319135 UWCCKVJVOHTHAF-UHFFFAOYSA-N CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=C ...
2-Methylbutyl Acetate 624-41-9 Sum of Isomers 12209 XHIUFYZDQBSEMF-UHFFFAOYSA-N CCC(C)COC(=O)C
4-Hexen-3-one 2497-21-4 Monomolecular 5365811 FEWIGMWODIRUJM-HWKANZROSA-N CCC(=O)/C=C/C
4-Methyl-5-vinylthiazole 1759-28-0 Monomolecular 15654 QUAMMXIRDIIGDJ-UHFFFAOYSA-N CC1=C(SC=N1)C=C
6-Methyl-5-hepten-2-ol 1569-60-4 Sum of Isomers 20745 OHEFFKYYKJVVOX-UHFFFAOYSA-N CC(CCC=C(C)C)O
Acetal 105-57-7 Monomolecular 7765 DHKHKXVYLBGOIT-UHFFFAOYSA-N CCOC(C)OCC
Thioanisole 100-68-5 Monomolecular 7520 HNKJADCVZUBCPG-UHFFFAOYSA-N CSC1=CC=CC=C1
2,4-Nonadienal 5910-87-2 Monomolecular 5283339 ZHHYXNZJDGDGPJ-BSWSSELBSA-N CCCC/C=C/C=C/C=O
(-)-alpha-Pinene 7785-26-4 Monomolecular 440968 GRWFGVWFFZKLTI-IUCAKERBSA-N CC1=CC[C@H]2C[C@@H]1C2(C)C
6,10-Dimethylundeca-5,9-Dien-2-One 689-67-8 Sum of Isomers 19633 HNZUNIKWNYHEJJ-UHFFFAOYSA-N CC(=CCCC(=CCCC(=O)C)C)C
(1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one 473-62-1 Monomolecular 10329459 MQPHVIPKLRXGDJ-GJMOJQLCSA-N C[C@@H]1[C@H]2C[C@H](C2(C)C)CC1=O
trans-Pinocamphone (pinocamphone) N.A. Monomolecular 6430551 MQPHVIPKLRXGDJ-BIIVOSGPSA-N C[C@H]1[C@H]2C[C@H](C2(C)C)CC1=O
4-Thujanol 17699-16-0 Monomolecular 6326181 KXSDPILWMGFJMM-AEJSXWLSSA-N CC(C)[C@@]12CC[C@@]([C@@H]1C2)(C)O
Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel- 1820-09-03 Monomolecular 89664 WONIGEXYPVIKFS-VGMNWLOBSA-N CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O
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