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2-keto-3H-1,3-benzothiazole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-keto-3H-1,3-benzothiazole-4-carboxylic acid methyl ester
SpectraBase Compound ID 7XrIHjfQmMm
InChI InChI=1S/C9H7NO3S/c1-13-8(11)5-3-2-4-6-7(5)10-9(12)14-6/h2-4H,1H3,(H,10,12)
InChIKey PHZOUQBWNIIGFC-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C9H7NO3S
Exact Mass 209.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXpuqVsdy3g
Name 2-keto-3H-1,3-benzothiazole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3S
InChI InChI=1S/C9H7NO3S/c1-13-8(11)5-3-2-4-6-7(5)10-9(12)14-6/h2-4H,1H3,(H,10,12)
InChIKey PHZOUQBWNIIGFC-UHFFFAOYSA-N
Molecular Weight 209.219 g/mol
SMILES N1c2c(SC1=O)cccc2C(=O)OC
SPLASH splash10-004i-0930000000-ca284ba74412652e594e
Source of Spectrum KC-57-7227-0
Synonyms 2-Oxo-3H-1,3-benzothiazole-4-carboxylic acid methyl ester Methyl 2-oxidanylidene-3H-1,3-benzothiazole-4-carboxylate Methyl 2-oxo-3H-1,3-benzothiazole-4-carboxylate
Wiley ID 1625490