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(1S,6S,7S,9R)-7,9-DIHYDROXY-3-OXABICYCLO[4.3.0]NONAN-4-ONE
SpectraBase Compound ID 9oHUTNxdQhd
InChI InChI=1S/C8H12O4/c9-6-2-7(10)5-3-12-8(11)1-4(5)6/h4-7,9-10H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKey ZLJLXYBYYJYBQQ-UCROKIRRSA-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 JtFB4dAEWaa
Name (1S,6S,7S,9R)-7,9-DIHYDROXY-3-OXABICYCLO[4.3.0]NONAN-4-ONE
Comments 35
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-6-2-7(10)5-3-12-8(11)1-4(5)6/h4-7,9-10H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKey ZLJLXYBYYJYBQQ-UCROKIRRSA-N
Instrument Name Bruker AM-300
Literature Reference G.A.TOLSTIKOV, F.A.VALEEV, I.P.IBRAGIMOVA, N.N.GAISINA, L.V.SPIRIKHIN,M.S.MIFTAKHOV (1992) Zhurn.Org.Khim.(Russ. Lang.): v.28, N9, 1875-1882.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6