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2H-1-Benzothiopyran-2-one, 3-bromo-4-hydroxy-
SpectraBase Compound ID EXegn3zIpo5
InChI InChI=1S/C9H5BrO2S/c10-7-8(11)5-3-1-2-4-6(5)13-9(7)12/h1-4,11H
InChIKey HJTBOJPERXYNHR-UHFFFAOYSA-N
Mol Weight 257.1 g/mol
Molecular Formula C9H5BrO2S
Exact Mass 255.919364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn7xym6qNC1
Name 2H-1-Benzothiopyran-2-one, 3-bromo-4-hydroxy-
CAS Registry Number 81576-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5BrO2S
InChI InChI=1S/C9H5BrO2S/c10-7-8(11)5-3-1-2-4-6(5)13-9(7)12/h1-4,11H
InChIKey HJTBOJPERXYNHR-UHFFFAOYSA-N
Molecular Weight 257.101 g/mol
SMILES OC1=C(C(Sc2ccccc12)=O)Br
SPLASH splash10-0a70-0980000000-83ebdd4701d597cc166b
Source of Spectrum KC-1982-399-0
Synonyms 3-Bromo-4-hydroxy-2H-1-benzothiopyran-2-one 3-Bromo-4-hydroxythiocoumarin
Wiley ID 1259169