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(1-R,3-S,4-R,6-R)-4-HYDROXY-1,3-DIMETHYL-7-OXABICYCLO-[4.1.0]-HEPTAN-2-ONE
SpectraBase Compound ID 3egH3OZKwJd
InChI InChI=1S/C8H12O3/c1-4-5(9)3-6-8(2,11-6)7(4)10/h4-6,9H,3H2,1-2H3/t4-,5+,6+,8+/m0/s1
InChIKey NVDKZXNVWSYXPV-LENIQADQSA-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 4FrJZhSAYlJ
Name (1-R,3-S,4-R,6-R)-4-HYDROXY-1,3-DIMETHYL-7-OXABICYCLO-[4.1.0]-HEPTAN-2-ONE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-4-5(9)3-6-8(2,11-6)7(4)10/h4-6,9H,3H2,1-2H3/t4-,5+,6+,8+/m0/s1
InChIKey NVDKZXNVWSYXPV-LENIQADQSA-N
Literature Reference Author P.ANTONY,R.SIGUEEIRO,T.HUET,Y.SATO,N.RAMALANJAONA,L.C.RODRIG UES,A.MOURINO,D.MORA
Literature Reference Citation J.MED.CHEM.,53,1159(2010)
Literature Reference DOI 10.1021/jm9014636
Molecular Weight 156.181 g/mol
Solvent CDCl3
Source File Reference UWMZ46272