4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(diethylamino)-2-methylphenyl]-, 1,1-dioxide

SpectraBase Compound ID	ANcsnYaiQu
InChI	InChI=1S/C20H20BrNO3S/c1-4-22(5-2)14-10-11-15(13(3)12-14)20-18(21)19(23)16-8-6-7-9-17(16)26(20,24)25/h6-12H,4-5H2,1-3H3
InChIKey	OZPZOYWWYHLXCZ-UHFFFAOYSA-N Google Search
Mol Weight	434.35 g/mol
Molecular Formula	C20H20BrNO3S
Exact Mass	433.034728 g/mol

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SpectraBase Spectrum ID	Ut9QiQ2qh1
Name	4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(diethylamino)-2-methylphenyl]-, 1,1-dioxide
CAS Registry Number	116884-79-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H20BrNO3S
InChI	InChI=1S/C20H20BrNO3S/c1-4-22(5-2)14-10-11-15(13(3)12-14)20-18(21)19(23)16-8-6-7-9-17(16)26(20,24)25/h6-12H,4-5H2,1-3H3
InChIKey	OZPZOYWWYHLXCZ-UHFFFAOYSA-N
Molecular Weight	434.348 g/mol
SMILES	C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)c1c(cc(cc1)N(CC)CC)C
SPLASH	splash10-0g5i-0002900000-ff90a75fdecf26f1331c
Source of Spectrum	KC-1988-1832-3
Synonyms	3-Bromo-2-(2'-methyl-4'-diethylaminophenyl)-4H-1-benzothiopyran-4-one 1,1-dioxide 3-Bromo-2-[4-(diethylamino)-2-methylphenyl]-4H-1-benzothiopyran-4-one 1,1-dioxide
Wiley ID	1382620