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PENCOLIDE
SpectraBase Compound ID 44CEDjYVNKy
InChI InChI=1S/C9H9NO4/c1-3-6(9(13)14)10-7(11)4-5(2)8(10)12/h3-4H,1-2H3,(H,13,14)/b6-3-
InChIKey NFDKQFGUQFNACT-UTCJRWHESA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82lf3wItwQM
Name PENCOLIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-3-6(9(13)14)10-7(11)4-5(2)8(10)12/h3-4H,1-2H3,(H,13,14)/b6-3-
InChIKey NFDKQFGUQFNACT-UTCJRWHESA-N
Literature Reference Author X.WANG,J.G.S.FILHO,A.R.HOOVER,J.B.KING,T.K.ELLIS,D.R.POWELL, R.H.CICHEWICZ
Literature Reference Citation J.NAT.PROD.,73,942(2010)
Literature Reference DOI 10.1021/np100142h
Molecular Weight 195.175 g/mol
Sample ID 35582
Solvent CDCl3