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5-(2'-Chloroacetamido)benzo[b]thiophene-2-carboxylic Acid
SpectraBase Compound ID HXxh3q6xOiJ
InChI InChI=1S/C11H8ClNO3S/c12-5-10(14)13-7-1-2-8-6(3-7)4-9(17-8)11(15)16/h1-4H,5H2,(H,13,14)(H,15,16)
InChIKey QIIKWVNSYYZNRP-UHFFFAOYSA-N
Mol Weight 269.7 g/mol
Molecular Formula C11H8ClNO3S
Exact Mass 268.991342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyVocr1Vlu6
Name 5-(2'-Chloroacetamido)benzo[b]thiophene-2-carboxylic Acid
Alternate Name(s) 5-[(2-chloro-1-oxoethyl)amino]-1-benzothiophene-2-carboxylic acid 5-[(2-chloroacetyl)amino]-1-benzothiophene-2-carboxylic acid 5-(2-Chloranylethanoylamino)-1-benzothiophene-2-carboxylic acid
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Formula C11H8ClNO3S
InChI InChI=1S/C11H8ClNO3S/c12-5-10(14)13-7-1-2-8-6(3-7)4-9(17-8)11(15)16/h1-4H,5H2,(H,13,14)(H,15,16)
InChIKey QIIKWVNSYYZNRP-UHFFFAOYSA-N
Molecular Weight 269.702 g/mol
SMILES N(C(=O)CCl)c1ccc2sc(C(=O)O)cc2c1
SPLASH splash10-00xr-3290000000-4bb483b829ff92fec16c
Source of Spectrum AH-140-448-2
Wiley ID 1696143