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4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(methylamino)phenyl]-, 1,1-dioxide
SpectraBase Compound ID Cjqq0AHYjKV
InChI InChI=1S/C16H12BrNO3S/c1-18-11-8-6-10(7-9-11)16-14(17)15(19)12-4-2-3-5-13(12)22(16,20)21/h2-9,18H,1H3
InChIKey VVIAYVXMEPHSLA-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 EjrrMMMcPy7
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(methylamino)phenyl]-, 1,1-dioxide
Alternate Name(s) 3-Bromo-2-[4-(methylamino)phenyl]-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-(p-methylaminophenyl)-1-benzothiopyran 1,1-dioxide
CAS Registry Number 116884-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO3S
InChI InChI=1S/C16H12BrNO3S/c1-18-11-8-6-10(7-9-11)16-14(17)15(19)12-4-2-3-5-13(12)22(16,20)21/h2-9,18H,1H3
InChIKey VVIAYVXMEPHSLA-UHFFFAOYSA-N
Molecular Weight 378.240 g/mol
SMILES N(c1ccc(C=2S(c3c(C(=O)C2Br)cccc3)(=O)=O)cc1)C
SPLASH splash10-004i-0009000000-7ae60a973635a0a24b60
Source of Spectrum KC-1988-1832-3
Wiley ID 1358167