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4H-1-Benzothiopyran-4-one, 3-bromo-2-(methylphenylamino)-, 1,1-dioxide
SpectraBase Compound ID AjhY56vAIJO
InChI InChI=1S/C16H12BrNO3S/c1-18(11-7-3-2-4-8-11)16-14(17)15(19)12-9-5-6-10-13(12)22(16,20)21/h2-10H,1H3
InChIKey QRWUWAPCHJVAJZ-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 D92L6sFuvKI
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-(methylphenylamino)-, 1,1-dioxide
CAS Registry Number 116884-70-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO3S
InChI InChI=1S/C16H12BrNO3S/c1-18(11-7-3-2-4-8-11)16-14(17)15(19)12-9-5-6-10-13(12)22(16,20)21/h2-10H,1H3
InChIKey QRWUWAPCHJVAJZ-UHFFFAOYSA-N
Molecular Weight 378.240 g/mol
SMILES C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)N(c1ccccc1)C
SPLASH splash10-001i-0094000000-c8b57b1a1fad8d97fe22
Source of Spectrum KC-1988-1831-2
Synonyms 3-Bromo-2-(methylanilino)-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-[(N-methyl)(n-phenyl)amino]-1-benzothiopyran 1,1-dioxide
Wiley ID 1358168