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2,3,4,6-TETRA-DEUTEROHYDROXY-5H-BENZOCYCLOHEPTEN-5-ONE;PURPUROGALLIN-TETRADEUTERATED-OH
SpectraBase Compound ID KpiTzbKieDX
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)/i/hD4
InChIKey WDGFFVCWBZVLCE-JBISRTOLSA-N
Mol Weight 224.2 g/mol
Molecular Formula C11H42H4O5
Exact Mass 224.06228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhDfCsIO733
Name 2,3,4,6-TETRA-DEUTEROHYDROXY-5H-BENZOCYCLOHEPTEN-5-ONE;PURPUROGALLIN-TETRADEUTERATED-OH
Compound Number 1-OD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H42H4O5
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)/i/hD4
InChIKey WDGFFVCWBZVLCE-JBISRTOLSA-N
Literature Reference Author P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,31,71(1993)
Literature Reference DOI 10.1002/mrc.1260310115
Molecular Weight 224.206 g/mol
Solvent DMSO-D6
Source File Reference UWMR88