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(3aR,6S,7aR)-6-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
SpectraBase Compound ID KKiTfZZ3KoH
InChI InChI=1S/C8H12O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h5-7,9H,1-4H2/t5-,6+,7-/m1/s1
InChIKey GQDMSBNOLSDXFW-DSYKOEDSSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkynOiZA3kR
Name (3aR,6S,7aR)-6-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h5-7,9H,1-4H2/t5-,6+,7-/m1/s1
InChIKey GQDMSBNOLSDXFW-DSYKOEDSSA-N
Literature Reference Author H.OTSUKA,E.HIRATA,A.TAKUSHI,T.SHINZATO,Y.TAKEDA,M.BANDO,M.KI DO
Literature Reference Citation CHEM.PHARM.BULL.,48,547(2000)
Literature Reference DOI 10.1248/cpb.48.547
Molecular Weight 156.181 g/mol
Solvent CD3OD
Source File Reference UWLU5071