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6-BETA-HYDROXY-2-OXABICYCLO-[4.3.0]-DELTA-(8.9)-NONEN-1-ONE
SpectraBase Compound ID 6KUTEuccfTR
InChI InChI=1S/C9H12O3/c1-5-4-7(10)6-2-3-12-9(11)8(5)6/h6-7,10H,2-4H2,1H3/t6-,7+/m0/s1
InChIKey SZDUUCCXZRJZRL-NKWVEPMBSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ec77AdPY1J
Name 6-BETA-HYDROXY-2-OXABICYCLO-[4.3.0]-DELTA-(8.9)-NONEN-1-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-4-7(10)6-2-3-12-9(11)8(5)6/h6-7,10H,2-4H2,1H3/t6-,7+/m0/s1
InChIKey SZDUUCCXZRJZRL-NKWVEPMBSA-N
Literature Reference Author M.G.VALLADARES,M.Y.RIOS
Literature Reference Citation J.NAT.PROD.,70,100(2007)
Literature Reference DOI 10.1021/np060499w
Molecular Weight 168.192 g/mol
Sample ID 29529
Solvent CDCl3