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2-(3-keto-1,2-benzothiazol-2-yl)butyric acid
SpectraBase Compound ID BsBAJxaqKQt
InChI InChI=1S/C11H11NO3S/c1-2-8(11(14)15)12-10(13)7-5-3-4-6-9(7)16-12/h3-6,8H,2H2,1H3,(H,14,15)
InChIKey UIFVNRXDJBVKGJ-UHFFFAOYSA-N
Mol Weight 237.27 g/mol
Molecular Formula C11H11NO3S
Exact Mass 237.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWd7hDHbRgN
Name 2-(3-keto-1,2-benzothiazol-2-yl)butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO3S
InChI InChI=1S/C11H11NO3S/c1-2-8(11(14)15)12-10(13)7-5-3-4-6-9(7)16-12/h3-6,8H,2H2,1H3,(H,14,15)
InChIKey UIFVNRXDJBVKGJ-UHFFFAOYSA-N
Molecular Weight 237.273 g/mol
SMILES OC(C(N1C(c2ccccc2S1)=O)CC)=O
SPLASH splash10-0udi-3910000000-4d8a58d3120c296d068d
Synonyms 2-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid 2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid Butyric acid, 2-(3-oxo-3H-benzo[d]isothiazol-2-yl)-
Wiley ID 1447900