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(5E,9E)-16-(4-Nitrophenoxy)-7,8-dihydro-16lambda5-dibenzo-[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
SpectraBase Compound ID 39FY9ACoQJm
InChI InChI=1S/C22H18N3O6P/c26-25(27)19-9-11-20(12-10-19)29-32(28)30-21-7-3-1-5-17(21)15-23-13-14-24-16-18-6-2-4-8-22(18)31-32/h1-12,15-16H,13-14H2/b23-15+,24-16+
InChIKey QWTYAEPWIWIZGM-DFEHQXHXSA-N
Mol Weight 451.37 g/mol
Molecular Formula C22H18N3O6P
Exact Mass 451.093322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYckPcLSKL
Name (5E,9E)-16-(4-Nitrophenoxy)-7,8-dihydro-16lambda5-dibenzo-[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N3O6P
InChI InChI=1S/C22H18N3O6P/c26-25(27)19-9-11-20(12-10-19)29-32(28)30-21-7-3-1-5-17(21)15-23-13-14-24-16-18-6-2-4-8-22(18)31-32/h1-12,15-16H,13-14H2/b23-15+,24-16+
InChIKey QWTYAEPWIWIZGM-DFEHQXHXSA-N
Literature Reference DOI 10.1002/ardp.201100204
Molecular Weight 451.375 g/mol
SMILES c1cc2c(OP(Oc3c(cccc3)\C=N\CC\N=C\2)(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1
SPLASH splash10-0udi-0094100000-e42ed09d94f592bf336d
Source of Spectrum APC-345-500-6e
Synonyms (5E,9E)-16-(4-nitrophenoxy)-7,8-dihydrodibenzo[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecine 16-oxide
Wiley ID 1769389