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4H-1-Benzothiopyran-4-one, 2-[(4-acetylphenyl)amino]-3-bromo-, 1,1-dioxide
SpectraBase Compound ID KfceoJmCwIe
InChI InChI=1S/C17H12BrNO4S/c1-10(20)11-6-8-12(9-7-11)19-17-15(18)16(21)13-4-2-3-5-14(13)24(17,22)23/h2-9,19H,1H3
InChIKey VQYCHDGYLJXQSZ-UHFFFAOYSA-N
Mol Weight 406.25 g/mol
Molecular Formula C17H12BrNO4S
Exact Mass 404.967042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MBNUQPTxrS
Name 4H-1-Benzothiopyran-4-one, 2-[(4-acetylphenyl)amino]-3-bromo-, 1,1-dioxide
CAS Registry Number 116884-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrNO4S
InChI InChI=1S/C17H12BrNO4S/c1-10(20)11-6-8-12(9-7-11)19-17-15(18)16(21)13-4-2-3-5-14(13)24(17,22)23/h2-9,19H,1H3
InChIKey VQYCHDGYLJXQSZ-UHFFFAOYSA-N
Molecular Weight 406.250 g/mol
SMILES N(C=1S(c2c(C(=O)C1Br)cccc2)(=O)=O)c1ccc(C(=O)C)cc1
SPLASH splash10-03di-0091100000-9c092695cbb622ab3aef
Source of Spectrum KC-1988-1831-2
Synonyms 2-(4-acetylanilino)-3-bromo-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-(p-acetylphenylamino)-1-benzothiopyran 1,1-dioxide
Wiley ID 1371659