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4-Propionyl-5-hydroxy-1,3-benzoxathiol-2-one
SpectraBase Compound ID BQXtwPTl8U8
InChI InChI=1S/C10H8O4S/c1-2-5(11)8-6(12)3-4-7-9(8)15-10(13)14-7/h3-4,12H,2H2,1H3
InChIKey XSHAKSKUWRIGFN-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C10H8O4S
Exact Mass 224.01433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzHkGa82HJT
Name 4-Propionyl-5-hydroxy-1,3-benzoxathiol-2-one
CAS Registry Number 112450-17-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H8O4S
InChI InChI=1S/C10H8O4S/c1-2-5(11)8-6(12)3-4-7-9(8)15-10(13)14-7/h3-4,12H,2H2,1H3
InChIKey XSHAKSKUWRIGFN-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 DMSO-D6