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3a-hydroxy-2-phenyl-1,3-benzothiazol-6(3aH)-one
SpectraBase Compound ID BzH2pvDvVrW
InChI InChI=1S/C13H9NO2S/c15-10-6-7-13(16)11(8-10)17-12(14-13)9-4-2-1-3-5-9/h1-8,16H
InChIKey FZEPDLRIRFALGL-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C13H9NO2S
Exact Mass 243.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXoNuUhvHKF
Name 3a-hydroxy-2-phenyl-1,3-benzothiazol-6(3aH)-one
Alternate Name(s) 3a-hydroxy-2-phenyl-1,3-benzothiazol-6-one 3a-oxidanyl-2-phenyl-1,3-benzothiazol-6-one
CAS Registry Number 68001-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2S
InChI InChI=1S/C13H9NO2S/c15-10-6-7-13(16)11(8-10)17-12(14-13)9-4-2-1-3-5-9/h1-8,16H
InChIKey FZEPDLRIRFALGL-UHFFFAOYSA-N
Molecular Weight 243.280 g/mol
SMILES OC12N=C(SC2=CC(C=C1)=O)c1ccccc1
SPLASH splash10-03dl-0910000000-e5ab702d9dd0ecd28fdf
Source of Spectrum J-44-123-0
Wiley ID 1245980