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4H-3,1-BENZOXATHIIN-2,2-DI-CARBOXYLIC-ACID,DIETHYLESTER
SpectraBase Compound ID 2iytaOH9xTt
InChI InChI=1S/C14H16O5S/c1-3-17-12(15)14(13(16)18-4-2)19-9-10-7-5-6-8-11(10)20-14/h5-8H,3-4,9H2,1-2H3
InChIKey XFCJGDPYAYLJNW-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C14H16O5S
Exact Mass 296.071845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPXHWk5QaUv
Name 4H-3,1-BENZOXATHIIN-2,2-DI-CARBOXYLIC-ACID,DIETHYLESTER
CAS Registry Number 108288-71-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O5S
InChI InChI=1S/C14H16O5S/c1-3-17-12(15)14(13(16)18-4-2)19-9-10-7-5-6-8-11(10)20-14/h5-8H,3-4,9H2,1-2H3
InChIKey XFCJGDPYAYLJNW-UHFFFAOYSA-N
Literature Reference Author M.SCHMIDT,H.MEIER,H.P.NIEDERMANN,R.MENGEL
Literature Reference Citation CHEM.BER.,123,1143(1990)
Literature Reference DOI 10.1002/cber.19901230530
Molecular Weight 296.338 g/mol
Solvent CDCl3
Source File Reference UWED11052