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4-(3-keto-1,2-benzothiazol-2-yl)butyric acid
SpectraBase Compound ID LNYneUvB87U
InChI InChI=1S/C11H11NO3S/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)16-12/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey XEAFJQMIKUQLNM-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 AKYk5W8jGG9
Name 4-(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/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)16-12/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey XEAFJQMIKUQLNM-UHFFFAOYSA-N
Molecular Weight 237.273 g/mol
SMILES OC(CCCN1C(c2c(cccc2)S1)=O)=O
SPLASH splash10-0udi-5900000000-8244f4fd33d428dbb2df
Synonyms 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid Butyric acid, 4-(3-oxo-3H-benzo[d]isothiazol-2-yl)-
Wiley ID 1447903