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4-(2-Phenyl-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl)-butanoic acid
SpectraBase Compound ID CzqvEJf4P0p
InChI InChI=1S/C13H13NO5S/c15-12(16)8-4-5-10-9-20(18,19)14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,15,16)
InChIKey JWUQFYOAISMLON-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C13H13NO5S
Exact Mass 295.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt7kUvPaOiH
Name 4-(2-Phenyl-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl)-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5S
InChI InChI=1S/C13H13NO5S/c15-12(16)8-4-5-10-9-20(18,19)14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,15,16)
InChIKey JWUQFYOAISMLON-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200009)342_7_675
Molecular Weight 295.309 g/mol
SMILES OC(CCCC1=CS(N(C1=O)c1ccccc1)(=O)=O)=O
SPLASH splash10-0002-0290000000-2445c00ed948d979fe2d
Source of Spectrum JF-342-680-17a
Synonyms 4-(1,1-dioxido-3-oxo-2-phenyl-2,3-dihydroisothiazol-4-yl)butanoic acid
Wiley ID 1767069