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2H-Thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester
SpectraBase Compound ID 3MiAUCihAfX
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChIKey MCUXKFHPGMEIIW-UHFFFAOYSA-N
Mol Weight 174.21 g/mol
Molecular Formula C7H10O3S
Exact Mass 174.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hhHRZiJpyg
Name 4-Oxo-3-thianecarboxylic acid, methyl ester
CAS Registry Number 4160-61-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChIKey MCUXKFHPGMEIIW-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6