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1-[(METHYLTHIO)METHYL]-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLIC ACID, DIMETHYL ESTER
SpectraBase Compound ID LEZVm7fobL
InChI InChI=1S/C12H14O5S/c1-15-10(13)8-7-4-5-12(17-7,6-18-3)9(8)11(14)16-2/h4-5,7H,6H2,1-3H3
InChIKey QYVLQXIYQXCABA-UHFFFAOYSA-N
Mol Weight 270.3 g/mol
Molecular Formula C12H14O5S
Exact Mass 270.056195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJfCC3D87NQ
Name 1-[(METHYLTHIO)METHYL]-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLIC ACID, DIMETHYL ESTER
Source of Sample A. Bighelli, F. Tomi and J. Casanova, Universite De Corse, Ajaccio, France Magn. Reson. Chem. 30, 1268(1992)
Comments Intensities undefined
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5S
InChI InChI=1S/C12H14O5S/c1-15-10(13)8-7-4-5-12(17-7,6-18-3)9(8)11(14)16-2/h4-5,7H,6H2,1-3H3
InChIKey QYVLQXIYQXCABA-UHFFFAOYSA-N
Molecular Weight 270.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker WP 200 SY
Synonyms 7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLIC ACID, 1-[(METHYLTHIO)METHYL]-, DIMETHYL ESTER