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2-keto-6-methyl-cyclohepta[d]furan-3-carboxylic acid ethyl ester
SpectraBase Compound ID KMXmEoBbWfn
InChI InChI=1S/C13H12O4/c1-3-16-12(14)11-9-6-4-8(2)5-7-10(9)17-13(11)15/h4-7H,3H2,1-2H3
InChIKey ORLVBPJVFKPCAB-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DVY3Wn8edG
Name 2-keto-6-methyl-cyclohepta[d]furan-3-carboxylic acid ethyl ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-3-16-12(14)11-9-6-4-8(2)5-7-10(9)17-13(11)15/h4-7H,3H2,1-2H3
InChIKey ORLVBPJVFKPCAB-UHFFFAOYSA-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 232.236 g/mol
Sample ID 33442
Solvent CDCl3