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4-HYDROXY-3-METHYL-2-OXABICYCLO-[3.3.1]-NON-6-ONE
SpectraBase Compound ID CcfLIyeWapB
InChI InChI=1S/C9H14O3/c1-5-9(11)7-4-6(12-5)2-3-8(7)10/h5-7,9,11H,2-4H2,1H3/t5-,6-,7-,9-/m1/s1
InChIKey UPXSKTXRAKBFLO-JXOAFFINSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bnup5SoP0oW
Name 4-HYDROXY-3-METHYL-2-OXABICYCLO-[3.3.1]-NON-6-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-5-9(11)7-4-6(12-5)2-3-8(7)10/h5-7,9,11H,2-4H2,1H3/t5-,6-,7-,9-/m1/s1
InChIKey UPXSKTXRAKBFLO-JXOAFFINSA-N
Literature Reference Author J.A.FINDLAY,S.BUTHELEZI,R.LAVOIE,L.PENA-RODRIGUEZ,J.D.MILLER
Literature Reference Citation J.NAT.PROD.,58,1759(1995)
Literature Reference DOI 10.1021/np50125a021
Molecular Weight 170.208 g/mol
Solvent CDCl3
Source File Reference UWCS22677