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4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)phenyl]-, 1,1-dioxide
SpectraBase Compound ID 1F5yB85gbhf
InChI InChI=1S/C17H14BrNO3S/c1-19(2)12-9-7-11(8-10-12)17-15(18)16(20)13-5-3-4-6-14(13)23(17,21)22/h3-10H,1-2H3
InChIKey BRUQORBIFQJPKM-UHFFFAOYSA-N
Mol Weight 392.27 g/mol
Molecular Formula C17H14BrNO3S
Exact Mass 390.987777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INaCmW0o9cz
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)phenyl]-, 1,1-dioxide
CAS Registry Number 116884-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14BrNO3S
InChI InChI=1S/C17H14BrNO3S/c1-19(2)12-9-7-11(8-10-12)17-15(18)16(20)13-5-3-4-6-14(13)23(17,21)22/h3-10H,1-2H3
InChIKey BRUQORBIFQJPKM-UHFFFAOYSA-N
Molecular Weight 392.267 g/mol
SMILES C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)c1ccc(cc1)N(C)C
SPLASH splash10-0006-0009000000-1344ffa2c4a1aae7e874
Source of Spectrum KC-1988-1832-3
Synonyms 3-Bromo-2-(p-dimethylaminophenyl)-4H-1-benzothiopyran-4-one 1,1-dioxide 3-Bromo-2-[4-(dimethylamino)phenyl]-4H-1-benzothiopyran-4-one 1,1-dioxide
Wiley ID 1365271