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N,N'-bis(2,4-Dinitrophenyl)-1,2R-propanediamine

View entire compound with spectra: 1 NMR, and 1 FTIR

N,N'-bis(2,4-Dinitrophenyl)-1,2R-propanediamine
SpectraBase Compound ID FOXLcY0AsZ4
InChI InChI=1S/C15H14N6O8/c1-9(17-13-5-3-11(19(24)25)7-15(13)21(28)29)8-16-12-4-2-10(18(22)23)6-14(12)20(26)27/h2-7,9,16-17H,8H2,1H3
InChIKey NVXHZMNTASVJHT-UHFFFAOYSA-N
Mol Weight 406.31 g/mol
Molecular Formula C15H14N6O8
Exact Mass 406.087311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z5BQl4R2An
Name N,N'-bis(2,4-Dinitrophenyl)-1,2R-propanediamine
Comments Computed using HOSE algorithm
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Exact Mass 406.087311427 u
Formula C15H14N6O8
InChI InChI=1S/C15H14N6O8/c1-9(17-13-5-3-11(19(24)25)7-15(13)21(28)29)8-16-12-4-2-10(18(22)23)6-14(12)20(26)27/h2-7,9,16-17H,8H2,1H3
InChIKey NVXHZMNTASVJHT-UHFFFAOYSA-N
Molecular Weight 406.311 g/mol
SMILES N(CC(NC1=CC=C(C=C1N(=O)=O)N(=O)=O)C)C=1C=CC(=CC1N(=O)=O)N(=O)=O