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

SpectraBase Compound ID	GuwKO0l95Uc
InChI	InChI=1S/C19H18BrNO3S/c1-3-21(4-2)14-11-9-13(10-12-14)19-17(20)18(22)15-7-5-6-8-16(15)25(19,23)24/h5-12H,3-4H2,1-2H3
InChIKey	ZOHUIEUFQLJFQU-UHFFFAOYSA-N Google Search
Mol Weight	420.32 g/mol
Molecular Formula	C19H18BrNO3S
Exact Mass	419.019078 g/mol

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SpectraBase Spectrum ID	JkGYD4KrBiJ
Name	4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(diethylamino)phenyl]-, 1,1-dioxide
CAS Registry Number	116884-75-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H18BrNO3S
InChI	InChI=1S/C19H18BrNO3S/c1-3-21(4-2)14-11-9-13(10-12-14)19-17(20)18(22)15-7-5-6-8-16(15)25(19,23)24/h5-12H,3-4H2,1-2H3
InChIKey	ZOHUIEUFQLJFQU-UHFFFAOYSA-N
Molecular Weight	420.321 g/mol
SMILES	C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)c1ccc(cc1)N(CC)CC
SPLASH	splash10-0pb9-0001900000-e4acacfcb8ea796acd42
Source of Spectrum	KC-1988-1832-3
Synonyms	3-Bromo-2-(p-diethylaminophenyl)-4H-1-benzothiopyran-4-one 1,1-dioxide 3-Bromo-2-[4-(diethylamino)phenyl]-4H-1-benzothiopyran-4-one 1,1-dioxide
Wiley ID	1377554