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Dibenzyl [hydroxy-(4-nitro-phenyl)-methyl]-phosphonate
SpectraBase Compound ID HzdB5TgR4Fo
InChI InChI=1S/C21H20NO6P/c23-21(19-11-13-20(14-12-19)22(24)25)29(26,27-15-17-7-3-1-4-8-17)28-16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKey XXKLSUWKSZWEMF-UHFFFAOYSA-N
Mol Weight 413.37 g/mol
Molecular Formula C21H20NO6P
Exact Mass 413.102824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwHgpFpDJiS
Name Dibenzyl [hydroxy-(4-nitro-phenyl)-methyl]-phosphonate
Alternate Name(s) Dibenzyl (hydroxy(4-nitrophenyl)methyl)phosphonate Dibenzyloxyphosphoryl-(4-nitrophenyl)methanol Bis(phenylmethoxy)phosphoryl-(4-nitrophenyl)methanol
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Formula C21H20NO6P
InChI InChI=1S/C21H20NO6P/c23-21(19-11-13-20(14-12-19)22(24)25)29(26,27-15-17-7-3-1-4-8-17)28-16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKey XXKLSUWKSZWEMF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.2879
Molecular Weight 413.366 g/mol
SMILES OC(c1ccc([N+](=O)[O-])cc1)P(=O)(OCc1ccccc1)OCc1ccccc1
SPLASH splash10-006x-9300000000-ea417d3a581c568c863e
Source of Spectrum AOC-26-455/SM10-3a
Wiley ID 1768543