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8-(5-hexyl-2-thienyl)caprylic acid methyl ester
SpectraBase Compound ID K1LVyBbH3ni
InChI InChI=1S/C19H32O2S/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h15-16H,3-14H2,1-2H3
InChIKey VQKNKWUMAKMKRX-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O2S
Exact Mass 324.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy3nsd27MeE
Name 8-(5-hexyl-2-thienyl)caprylic acid methyl ester
CAS Registry Number 54233-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O2S
InChI InChI=1S/C19H32O2S/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h15-16H,3-14H2,1-2H3
InChIKey VQKNKWUMAKMKRX-UHFFFAOYSA-N
Molecular Weight 324.523 g/mol
SMILES c1(ccc(s1)CCCCCC)CCCCCCCC(=O)OC
SPLASH splash10-01q9-0900000000-c793d9dd65efbaa4a2be
Source of Spectrum SO-0-468-5
Synonyms Methyl 8-(5-hexyl-2-thienyl)octanoate 8-(5-hexyl-2-thiophenyl)octanoic acid methyl ester Methyl 8-(5-hexylthiophen-2-yl)octanoate Methyl 9,12-epithio-9,11-octadecanoate
Wiley ID 1540002