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Diethyl 2-(1-(2,4-dinitrobenzylidene)-2-phenylhydrazine-1-yl)-3-(triphenylphosphoranylidene)butandioate
SpectraBase Compound ID Qhs9nctcA4
InChI InChI=1S/C39H35N4O8P/c1-3-50-38(44)36(41(30-17-9-5-10-18-30)40-28-29-25-26-31(42(46)47)27-35(29)43(48)49)37(39(45)51-4-2)52(32-19-11-6-12-20-32,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28,36H,3-4H2,1-2H3
InChIKey PDVLASPMYXOXCQ-UHFFFAOYSA-N
Mol Weight 718.7 g/mol
Molecular Formula C39H35N4O8P
Exact Mass 718.219251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RuwSl67ZaT
Name Diethyl 2-(1-(2,4-dinitrobenzylidene)-2-phenylhydrazine-1-yl)-3-(triphenylphosphoranylidene)butandioate
Appearance Colorless crystals
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Formula C39H35N4O8P
InChI InChI=1S/C39H35N4O8P/c1-3-50-38(44)36(41(30-17-9-5-10-18-30)40-28-29-25-26-31(42(46)47)27-35(29)43(48)49)37(39(45)51-4-2)52(32-19-11-6-12-20-32,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28,36H,3-4H2,1-2H3
InChIKey PDVLASPMYXOXCQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 5050A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.709
Molecular Weight 718.703 g/mol
SMILES C(C(C(OCC)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(OCC)=O)N(N=Cc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O)c1ccccc1
SPLASH splash10-004i-3290100000-8dd77a2808cce49eeab7
Source of Spectrum ARK-2009-92-3e
Wiley ID 1866642