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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 9eq6nXmFswm
Name 3-Bromo-thiochromanone 1-oxide
CAS Registry Number 57314-29-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference M.S. Chauhan, I.W. Still, Can. J. Chem. 53, 2880 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3