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 Google Search
Mol Weight	378.24 g/mol
Molecular Formula	C16H12BrNO3S
Exact Mass	376.972127 g/mol

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SpectraBase Spectrum ID	EjrrMMMcPy7
Name	4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(methylamino)phenyl]-, 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
Synonyms	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
Wiley ID	1358167