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2-(2-nitro-1-phenyl-ethyl)malonic acid diethyl ester
SpectraBase Compound ID d7zqX73uZ6
InChI InChI=1S/C15H19NO6/c1-3-21-14(17)13(15(18)22-4-2)12(10-16(19)20)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey VQKSJEVJSPWVIE-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C15H19NO6
Exact Mass 309.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MhsMiNhOy
Name 2-(2-nitro-1-phenyl-ethyl)malonic acid diethyl ester
Alternate Name(s) 2-(2-nitro-1-phenylethyl)propanedioic acid diethyl ester Diethyl 2-(2-nitro-1-phenyl-ethyl)propanedioate Diethyl 2-(2-nitro-1-phenylethyl)malonate
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Formula C15H19NO6
InChI InChI=1S/C15H19NO6/c1-3-21-14(17)13(15(18)22-4-2)12(10-16(19)20)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey VQKSJEVJSPWVIE-UHFFFAOYSA-N
Molecular Weight 309.318 g/mol
SMILES C(C(CN(=O)=O)c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0imi-4970000000-f12eadeaf3e755b7ac33
Source of Spectrum F-54-14005-3
Wiley ID 809760