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Ethyl 3-(acetylamino)-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 2s3BL8dfD9P
InChI InChI=1S/C13H12BrNO4S/c1-3-19-13(18)12-9(15-6(2)16)7-4-5-8(14)10(17)11(7)20-12/h4-5,17H,3H2,1-2H3,(H,15,16)
InChIKey LWJZJWJVYGQTOE-UHFFFAOYSA-N
Mol Weight 358.21 g/mol
Molecular Formula C13H12BrNO4S
Exact Mass 356.967042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Tnxbwlv9JW
Name Ethyl 3-(acetylamino)-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylate
Alternate Name(s) 3-Acetamido-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylic acid ethyl ester 3-Acetamido-6-bromo-7-hydroxy-benzothiophene-2-carboxylic acid ethyl ester Benzothiophene-2-carboxylic acid, 3-acetylamino-6-bromo-7-hydroxy- Ethyl 3-acetamido-6-bromanyl-7-oxidanyl-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-6-bromo-7-hydroxy-benzothiophene-2-carboxylate
CAS Registry Number 339219-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12BrNO4S
InChI InChI=1S/C13H12BrNO4S/c1-3-19-13(18)12-9(15-6(2)16)7-4-5-8(14)10(17)11(7)20-12/h4-5,17H,3H2,1-2H3,(H,15,16)
InChIKey LWJZJWJVYGQTOE-UHFFFAOYSA-N
Molecular Weight 358.206 g/mol
SMILES Oc1c2sc(c(c2ccc1Br)NC(=O)C)C(=O)OCC
SPLASH splash10-0006-9221000000-186b9a7931bd11abb721
Source of Spectrum AD-0-2532-0
Wiley ID 1420237