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METHYL-(4-NITROPHENYL)-(4-NITROBENZYL)-PHOSPHONATE
SpectraBase Compound ID 8qZ3I2MjZr
InChI InChI=1S/C14H13N2O7P/c1-22-24(21,10-11-2-4-12(5-3-11)15(17)18)23-14-8-6-13(7-9-14)16(19)20/h2-9H,10H2,1H3
InChIKey IYIJLENHQZHYST-UHFFFAOYSA-N
Mol Weight 352.24 g/mol
Molecular Formula C14H13N2O7P
Exact Mass 352.046038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MnK98KnH9g
Name Methyl (4"-Nitrophenyl) (4'-Nitrobenzyl) phosphonate
Alternate Name(s) Methyl (4''-Nitrophenyl) (4'-Nitrobenzyl) phosphonate Methyl 4-nitrophenyl 4-nitrobenzylphosphonate
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Formula C14H13N2O7P
InChI InChI=1S/C14H13N2O7P/c1-22-24(21,10-11-2-4-12(5-3-11)15(17)18)23-14-8-6-13(7-9-14)16(19)20/h2-9H,10H2,1H3
InChIKey IYIJLENHQZHYST-UHFFFAOYSA-N
Molecular Weight 352.239 g/mol
SMILES c1(OP(=O)(Cc2ccc(N(=O)=O)cc2)OC)ccc(N(=O)=O)cc1
SPLASH splash10-0zg0-0219000000-c7e1a09985d605b3d996
Source of Spectrum I-78-654-25
Wiley ID 812602