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Dipropyl 1-(p-Nitrobenzyl)-1,2-di(p-nitrophenyl)ethylphosphonate
SpectraBase Compound ID Jds7Sy6jv6C
InChI InChI=1S/C27H30N3O9P/c1-3-17-38-40(37,39-18-4-2)27(23-9-15-26(16-10-23)30(35)36,19-21-5-11-24(12-6-21)28(31)32)20-22-7-13-25(14-8-22)29(33)34/h5-16H,3-4,17-20H2,1-2H3
InChIKey WZVUHCMJZCEVEW-UHFFFAOYSA-N
Mol Weight 571.52 g/mol
Molecular Formula C27H30N3O9P
Exact Mass 571.171967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56rql0Owsa
Name Dipropyl 1-(p-Nitrobenzyl)-1,2-di(p-nitrophenyl)ethylphosphonate
Alternate Name(s) dipropyl (1,2,3-tris(4-nitrophenyl)propan-2-yl)phosphonate
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Formula C27H30N3O9P
InChI InChI=1S/C27H30N3O9P/c1-3-17-38-40(37,39-18-4-2)27(23-9-15-26(16-10-23)30(35)36,19-21-5-11-24(12-6-21)28(31)32)20-22-7-13-25(14-8-22)29(33)34/h5-16H,3-4,17-20H2,1-2H3
InChIKey WZVUHCMJZCEVEW-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1098-1071(1998)9_2_201
Molecular Weight 571.523 g/mol
SMILES c1c(ccc([N+](=O)[O-])c1)C(P(OCCC)(OCCC)=O)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc([N+]([O-])=O)cc1
SPLASH splash10-0fk9-2935850000-0856e9bf206be05484e5
Source of Spectrum HAC-9-208-5a
Wiley ID 1783137