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5,6-DIHYDROXY-PERHYDROISOBENZOFURANON
SpectraBase Compound ID 3GSSQXsuI5b
InChI InChI=1S/C8H12O4/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h4-7,9-10H,1-3H2/t4-,5-,6+,7-/m0/s1
InChIKey BHWLMXVVHMTPGT-YTLHQDLWSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ShZUcifG6L
Name (3ARS,5RS,6SR,7ASR)-5,6-DIHYDROXY-PERHYDRO-ISOBENZOFURANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h4-7,9-10H,1-3H2/t4-,5-,6+,7-/m0/s1
InChIKey BHWLMXVVHMTPGT-YTLHQDLWSA-N
Literature Reference Author R.STEJSKAL,E.URBAN,H.VOELLENKLE
Literature Reference Citation MH.CHEM.,122,145(1991)
Literature Reference DOI 10.1007/BF00809359
Molecular Weight 172.181 g/mol
Solvent DMSO-D6
Source File Reference UWFP519