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Benzoic acid, 4-nitro-, (cyano)(diethylphosphonato)methylenamino ester
SpectraBase Compound ID 2uOWlrEv1SP
InChI InChI=1S/C13H14N3O7P/c1-3-21-24(20,22-4-2)12(9-14)15-23-13(17)10-5-7-11(8-6-10)16(18)19/h5-8H,3-4H2,1-2H3/b15-12-
InChIKey DZGABQMMIZYJQV-QINSGFPZSA-N
Mol Weight 355.24 g/mol
Molecular Formula C13H14N3O7P
Exact Mass 355.056937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49fxwH09fXG
Name Benzoic acid, 4-nitro-, (cyano)(diethylphosphonato)methylenamino ester
Alternate Name(s) 4-Nitrobenzoic acid [(Z)-[cyano(diethoxyphosphoryl)methylidene]amino] ester [(Z)-[cyano(diethoxyphosphoryl)methylene]amino] 4-nitrobenzoate [(Z)-[cyano(diethoxyphosphoryl)methylidene]amino] 4-nitrobenzoate
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Formula C13H14N3O7P
InChI InChI=1S/C13H14N3O7P/c1-3-21-24(20,22-4-2)12(9-14)15-23-13(17)10-5-7-11(8-6-10)16(18)19/h5-8H,3-4H2,1-2H3/b15-12-
InChIKey DZGABQMMIZYJQV-QINSGFPZSA-N
Molecular Weight 355.243 g/mol
SMILES c1cc(ccc1C(O\N=C\(C#N)P(=O)(OCC)OCC)=O)N(=O)=O
SPLASH splash10-0udi-4900000000-9d8773507eeffe506d45
Source of Spectrum AD-0-2532-0
Wiley ID 1434263