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7-METHOXYACETYL-5-HYDROXY-1,3-BENZOXATHIOL-2-ONE
SpectraBase Compound ID 322qvvEPk6D
InChI InChI=1S/C10H8O5S/c1-14-8(12)3-5-2-6(11)4-7-9(5)15-10(13)16-7/h2,4,11H,3H2,1H3
InChIKey SUTHSIORRHLGFJ-UHFFFAOYSA-N
Mol Weight 240.23 g/mol
Molecular Formula C10H8O5S
Exact Mass 240.009245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHERxylRlMx
Name 7-Methoxycarbonylmethyl-5-hydroxy-1,3-benzoxathiol-2-one
CAS Registry Number 112450-16-5
Comments STRUCTURE CHANGED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H8O5S
InChI InChI=1S/C10H8O5S/c1-14-8(12)3-5-2-6(11)4-7-9(5)15-10(13)16-7/h2,4,11H,3H2,1H3
InChIKey SUTHSIORRHLGFJ-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