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(3R,3aS,6R,8aR)-2,8-diketo-6-methyl-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[d]furan-3-carboxylic acid ethyl ester
SpectraBase Compound ID FcGucuyZf9M
InChI InChI=1S/C13H18O5/c1-3-17-12(15)10-8-5-4-7(2)6-9(14)11(8)18-13(10)16/h7-8,10-11H,3-6H2,1-2H3/t7-,8+,10-,11-/m1/s1
InChIKey YUHOKLKZOYOZRE-JZSSXWJLSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DN12wzSwEZm
Name (3R,3aS,6R,8aR)-2,8-diketo-6-methyl-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[d]furan-3-carboxylic acid ethyl ester
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-3-17-12(15)10-8-5-4-7(2)6-9(14)11(8)18-13(10)16/h7-8,10-11H,3-6H2,1-2H3/t7-,8+,10-,11-/m1/s1
InChIKey YUHOKLKZOYOZRE-JZSSXWJLSA-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 254.283 g/mol
Sample ID 33444
Solvent CDCl3