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(1S,4S,5R)-2-OXO-4-ETHYL-1-(4-METHYLPHENYL)-3-OXABICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID OTElP26vGQ
InChI InChI=1S/C14H16O2/c1-3-12-11-8-14(11,13(15)16-12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3/t11-,12-,14+/m0/s1
InChIKey NLXUSOXHDPMNCQ-SGMGOOAPSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SSzgZjYi8S
Name (1S,4S,5R)-2-OXO-4-ETHYL-1-(4-METHYLPHENYL)-3-OXABICYCLO-[3.1.0]-HEXANE
Compound Number 30G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-3-12-11-8-14(11,13(15)16-12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3/t11-,12-,14+/m0/s1
InChIKey NLXUSOXHDPMNCQ-SGMGOOAPSA-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 216.280 g/mol
Solvent CDCl3
Source File Reference UWSI24435