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(1S,2R)-2-OXO-1-(3-METHYLPHENYL)-3-OXABICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID 2oKlYEkYYAw
InChI InChI=1S/C12H12O2/c1-8-3-2-4-9(5-8)12-6-10(12)7-14-11(12)13/h2-5,10H,6-7H2,1H3/t10-,12+/m0/s1
InChIKey BQCIMXVLHZHNQF-CMPLNLGQSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OBcs5mpSgE
Name (1S,2R)-2-OXO-1-(3-METHYLPHENYL)-3-OXABICYCLO-[3.1.0]-HEXANE
Compound Number 25F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-8-3-2-4-9(5-8)12-6-10(12)7-14-11(12)13/h2-5,10H,6-7H2,1H3/t10-,12+/m0/s1
InChIKey BQCIMXVLHZHNQF-CMPLNLGQSA-N
Literature Reference Author Y.KAZUTA,R.TSUJITA,K.YAMASHITA,S.UCHINO,S.KOHSAKA,A.MATSUDA, S.SHUTO
Literature Reference Citation BIOORG.MED.CHEM.,10,3829(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00346-2
Molecular Weight 188.226 g/mol
Solvent CDCl3
Source File Reference UWSI24386