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2-Butylsulfinylbenzoic acid methyl ester
SpectraBase Compound ID 1cKU907tUyj
InChI InChI=1S/C12H16O3S/c1-3-4-9-16(14)11-8-6-5-7-10(11)12(13)15-2/h5-8H,3-4,9H2,1-2H3
InChIKey VBQYSGIIEKBZKD-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iysFcRWSFN
Name 2-Butylsulfinylbenzoic acid methyl ester
CAS Registry Number 31419-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-4-9-16(14)11-8-6-5-7-10(11)12(13)15-2/h5-8H,3-4,9H2,1-2H3
InChIKey VBQYSGIIEKBZKD-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES c1(c(S(=O)CCCC)cccc1)C(=O)OC
SPLASH splash10-0a73-9800000000-2034582a2d3c3c4f4565
Source of Spectrum J-51-1039-16
Wiley ID 1242632