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DIETHYL-[1,2-(13)C(2)]-MALONATE

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DIETHYL-[1,2-(13)C(2)]-MALONATE
SpectraBase Compound ID G3hpCFlBagx
InChI InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1,6+1
InChIKey IYXGSMUGOJNHAZ-MPOCSFTDSA-N
Mol Weight 162.15 g/mol
Molecular Formula C513C2H12O4
Exact Mass 162.080269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jBu7wc6q8H
Name DIETHYL-[1,2-(13)C(2)]-MALONATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C513C2H12O4
InChI InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1,6+1
InChIKey IYXGSMUGOJNHAZ-MPOCSFTDSA-N
Literature Reference Author R.M.MEIER,C.TAMM
Literature Reference Citation J.ANTIBIOTICS,45,400(1992)
Literature Reference DOI 10.7164/antibiotics.45.400
Molecular Weight 162.155 g/mol
Sample ID 45854
Solvent CDCl3