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4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-methoxyphenyl)amino]-, 1,1-dioxide
SpectraBase Compound ID JGSHc8M3XEa
InChI InChI=1S/C16H12BrNO4S/c1-22-11-8-6-10(7-9-11)18-16-14(17)15(19)12-4-2-3-5-13(12)23(16,20)21/h2-9,18H,1H3
InChIKey WDJLSAPTMYRQSV-UHFFFAOYSA-N
Mol Weight 394.24 g/mol
Molecular Formula C16H12BrNO4S
Exact Mass 392.967042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMSioU3EKAY
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-methoxyphenyl)amino]-, 1,1-dioxide
CAS Registry Number 116906-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO4S
InChI InChI=1S/C16H12BrNO4S/c1-22-11-8-6-10(7-9-11)18-16-14(17)15(19)12-4-2-3-5-13(12)23(16,20)21/h2-9,18H,1H3
InChIKey WDJLSAPTMYRQSV-UHFFFAOYSA-N
Molecular Weight 394.239 g/mol
SMILES N(C=1S(c2c(C(=O)C1Br)cccc2)(=O)=O)c1ccc(cc1)OC
SPLASH splash10-0gb9-0039000000-19bda19cd0871759fd0c
Source of Spectrum KC-1988-1831-2
Synonyms 3-Bromo-2-(4-methoxyanilino)-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-(p-metyoxyphenylamino)-1-benzothiopyran 1,1-dioxide
Wiley ID 1366153