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1-(ISOTHIOCYANATOMETHYL)-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLIC ACID, DIMETHYL ESTER

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1-(ISOTHIOCYANATOMETHYL)-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLIC ACID, DIMETHYL ESTER
SpectraBase Compound ID HyjuoYUEvJQ
InChI InChI=1S/C12H11NO5S/c1-16-10(14)8-7-3-4-12(18-7,5-13-6-19)9(8)11(15)17-2/h3-4,7H,5H2,1-2H3
InChIKey HIYNHGGYAYKRBU-UHFFFAOYSA-N
Mol Weight 281.28 g/mol
Molecular Formula C12H11NO5S
Exact Mass 281.035794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOzesVT66QK
Name 1-(ISOTHIOCYANATOMETHYL)-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 C12H11NO5S
InChI InChI=1S/C12H11NO5S/c1-16-10(14)8-7-3-4-12(18-7,5-13-6-19)9(8)11(15)17-2/h3-4,7H,5H2,1-2H3
InChIKey HIYNHGGYAYKRBU-UHFFFAOYSA-N
Molecular Weight 281.29
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-(ISOTHIOCYANATOMETHYL)-, DIMETHYL ESTER