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(+/-)-7-BETA-(2-ACETOXY-1-ALPHA-METHYLETHYL)-4-BETA-METHYL-2-CYCLOHEPTEN-1-ONE
SpectraBase Compound ID LKSf9UzeJSE
InChI InChI=1S/C13H20O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12H,4,6,8H2,1-3H3/t9-,10+,12-/m0/s1
InChIKey KEKMYKKTXMFFCR-UMNHJUIQSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rFGl50DnjS
Name (+/-)-7-BETA-(2-ACETOXY-1-ALPHA-METHYLETHYL)-4-BETA-METHYL-2-CYCLOHEPTEN-1-ONE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12H,4,6,8H2,1-3H3/t9-,10+,12-/m0/s1
InChIKey KEKMYKKTXMFFCR-UMNHJUIQSA-N
Literature Reference Author F.SHIMOMA,H.KUSAKA,K.WADA,H.AZAMI,M.YASUNAMI,T.SUZUKI,H.HAGI WARA,M.ANDO
Literature Reference Citation J.ORG.CHEM.,63,920(1998)
Literature Reference DOI 10.1021/jo971529q
Molecular Weight 224.300 g/mol
Sample ID 33439
Solvent CDCl3