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(+/-)-(3A-ALPHA,8A-ALPHA)-3-ALPHA,6-BETA-DIMETHYL-2-OXO-3,3A,4,5,6,8A-HEXAHYDRO-2H-CYCLOHEPTA-[B]-FURAN-3-BETA-CARBOXYLIC-ACID
SpectraBase Compound ID 2LPwlSgGeeI
InChI InChI=1S/C12H16O4/c1-7-3-5-8-9(6-4-7)16-11(15)12(8,2)10(13)14/h4,6-9H,3,5H2,1-2H3,(H,13,14)/t7-,8+,9-,12-/m0/s1
InChIKey LCWYOXYJLBOJMR-NHRVJRKFSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2BUT9o40W7
Name (+/-)-(3A-ALPHA,8A-ALPHA)-3-ALPHA,6-BETA-DIMETHYL-2-OXO-3,3A,4,5,6,8A-HEXAHYDRO-2H-CYCLOHEPTA-[B]-FURAN-3-BETA-CARBOXYLIC-ACID
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-7-3-5-8-9(6-4-7)16-11(15)12(8,2)10(13)14/h4,6-9H,3,5H2,1-2H3,(H,13,14)/t7-,8+,9-,12-/m0/s1
InChIKey LCWYOXYJLBOJMR-NHRVJRKFSA-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 224.257 g/mol
Sample ID 33434
Solvent CDCl3