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4-Phenyl-1-(ethoxycarbonyl)-1,1-dinitrobutane
SpectraBase Compound ID EJ4xpHaXIxs
InChI InChI=1S/C13H16N2O6/c1-2-21-12(16)13(14(17)18,15(19)20)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey LNUYRPUPCOWAKR-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C13H16N2O6
Exact Mass 296.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dbQkII6498
Name 4-Phenyl-1-(ethoxycarbonyl)-1,1-dinitrobutane
Alternate Name(s) Ethyl 2,2-dinitro-5-phenylpentanoate
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Formula C13H16N2O6
InChI InChI=1S/C13H16N2O6/c1-2-21-12(16)13(14(17)18,15(19)20)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey LNUYRPUPCOWAKR-UHFFFAOYSA-N
Molecular Weight 296.279 g/mol
SMILES C(CCCc1ccccc1)(N(=O)=O)(N(=O)=O)C(=O)OCC
SPLASH splash10-052f-7910000000-1ed91e799ff9cacff035
Source of Spectrum D8-327-523-7
Wiley ID 1515368