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4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-methylphenyl)amino]-, 1,1-dioxide
SpectraBase Compound ID HsiYgmvuzLM
InChI InChI=1S/C16H12BrNO3S/c1-10-6-8-11(9-7-10)18-16-14(17)15(19)12-4-2-3-5-13(12)22(16,20)21/h2-9,18H,1H3
InChIKey XHWNZQYVDIYDDD-UHFFFAOYSA-N
Mol Weight 378.24 g/mol
Molecular Formula C16H12BrNO3S
Exact Mass 376.972127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPcdvfr815V
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-methylphenyl)amino]-, 1,1-dioxide
CAS Registry Number 116884-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO3S
InChI InChI=1S/C16H12BrNO3S/c1-10-6-8-11(9-7-10)18-16-14(17)15(19)12-4-2-3-5-13(12)22(16,20)21/h2-9,18H,1H3
InChIKey XHWNZQYVDIYDDD-UHFFFAOYSA-N
Molecular Weight 378.240 g/mol
SMILES N(C=1S(c2c(C(=O)C1Br)cccc2)(=O)=O)c1ccc(cc1)C
SPLASH splash10-003r-0095000000-0047b7639aca164ef701
Source of Spectrum KC-1988-1831-2
Synonyms 3-Bromo-2-(4-toluidino)-4H-1-benzothiopyran-4-one 1,1-dioxide 3-Bromo-4-oxo-2-(p-methylphenyl)amino-1-benzothiopyran 1,1-dioxide
Wiley ID 1358166