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XAKGTEMIURUVKK-UHFFFAOYSA-N
SpectraBase Compound ID 7EF7qOXBC4P
InChI InChI=1S/C9H7BrO2S/c10-7-5-13(12)8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2
InChIKey XAKGTEMIURUVKK-UHFFFAOYSA-N
Mol Weight 259.12 g/mol
Molecular Formula C9H7BrO2S
Exact Mass 257.935014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lmdF3LL8au
Name 3-BROMOTHIOCHROMAN-4-ONE, 1-OXIDE
Source of Sample M. S. Chauhan, I. W. Still Can. J. Chem. 53, 2880(1975)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7BrO2S
InChI InChI=1S/C9H7BrO2S/c10-7-5-13(12)8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2
InChIKey XAKGTEMIURUVKK-UHFFFAOYSA-N
Molecular Weight 259.13
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms THIOCHROMAN-4-ONE, 3-BROMO-, 1-OXIDE