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5-Benzoylisothiazole-3-carboxylic acid
SpectraBase Compound ID FmO3jydalqr
InChI InChI=1S/C11H7NO3S/c13-10(7-4-2-1-3-5-7)9-6-8(11(14)15)12-16-9/h1-6H,(H,14,15)
InChIKey JLOKMZHPKVTKLZ-UHFFFAOYSA-N
Mol Weight 233.24 g/mol
Molecular Formula C11H7NO3S
Exact Mass 233.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xbq8iQqli6
Name 5-Benzoylisothiazole-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7NO3S
InChI InChI=1S/C11H7NO3S/c13-10(7-4-2-1-3-5-7)9-6-8(11(14)15)12-16-9/h1-6H,(H,14,15)
InChIKey JLOKMZHPKVTKLZ-UHFFFAOYSA-N
Molecular Weight 233.241 g/mol
SMILES OC(c1nsc(c1)C(c1ccccc1)=O)=O
SPLASH splash10-0a4i-0940000000-47859d579eba8c05c824
Source of Spectrum K-2001-1311-8
Synonyms 5-(Phenylcarbonyl)-1,2-thiazole-3-carboxylic acid 5-Benzoyl-1,2-thiazole-3-carboxylic acid 5-Benzoyl-3-isothiazolecarboxylic acid
Wiley ID 1579012