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3-Thiophenecarboxylic acid, 2-(1-ethylbutyl)-, methyl ester
SpectraBase Compound ID Ez7OsMFuwQB
InChI InChI=1S/C12H18O2S/c1-4-6-9(5-2)11-10(7-8-15-11)12(13)14-3/h7-9H,4-6H2,1-3H3
InChIKey SBKBJHYHPKTTDR-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kmxQAoDwiZ
Name 3-Thiophenecarboxylic acid, 2-(1-ethylbutyl)-, methyl ester
Alternate Name(s) Methyl 2-(1-ethylbutyl)-3-thiophenecarboxylate Methyl 2-(1-ethylbutyl)thiophen-3-carboxylate
CAS Registry Number 86752-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-4-6-9(5-2)11-10(7-8-15-11)12(13)14-3/h7-9H,4-6H2,1-3H3
InChIKey SBKBJHYHPKTTDR-UHFFFAOYSA-N
Molecular Weight 226.334 g/mol
SMILES c1(c(scc1)C(CC)CCC)C(=O)OC
SPLASH splash10-000i-5900000000-f4516957a92b4f1a39e6
Source of Spectrum KC-1983-794-0
Wiley ID 1227198