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4-Isobutyroyl-5-hydroxy-1,3-benzoxathiol-2-one
SpectraBase Compound ID I0DxdZCuZZU
InChI InChI=1S/C11H10O4S/c1-5(2)9(13)8-6(12)3-4-7-10(8)16-11(14)15-7/h3-5,12H,1-2H3
InChIKey JPELVCUFEZNOIX-UHFFFAOYSA-N
Mol Weight 238.26 g/mol
Molecular Formula C11H10O4S
Exact Mass 238.02998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bKtGZSMbLJ
Name 4-Isobutyroyl-5-hydroxy-1,3-benzoxathiol-2-one
CAS Registry Number 112450-18-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H10O4S
InChI InChI=1S/C11H10O4S/c1-5(2)9(13)8-6(12)3-4-7-10(8)16-11(14)15-7/h3-5,12H,1-2H3
InChIKey JPELVCUFEZNOIX-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference R. Al-Hamdany, J.M. Al-Rawi, B.A.Ahmed, J. Prakt. Chem. 329, 337 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3