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5-anilino-3,6-diketo-2-(triphenylphosphoranylideneamino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID JJ4qoYTopeA
InChI InChI=1S/C32H25N2O4P/c1-38-32(37)29-30(28(35)22-27(31(29)36)33-23-14-6-2-7-15-23)34-39(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,33H,1H3
InChIKey WYCDSHPZCLCQNS-UHFFFAOYSA-N
Mol Weight 532.5 g/mol
Molecular Formula C32H25N2O4P
Exact Mass 532.155194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A9YQnG407c
Name 5-anilino-3,6-diketo-2-(triphenylphosphoranylideneamino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
Alternate Name(s) 5-anilino-3,6-dioxo-2-(triphenylphosphoranylideneamino)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester methyl 5-anilino-3,6-dioxo-2-[(triphenyl-$l^{5}-phosphanylidene)amino]cyclohexa-1,4-diene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H25N2O4P
InChI InChI=1S/C32H25N2O4P/c1-38-32(37)29-30(28(35)22-27(31(29)36)33-23-14-6-2-7-15-23)34-39(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,33H,1H3
InChIKey WYCDSHPZCLCQNS-UHFFFAOYSA-N
Molecular Weight 532.536 g/mol
SMILES N(C=1C(C(=C(C(C1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)=O)c1ccccc1
SPLASH splash10-03di-0090020000-1fc294bbbaaaf7f76c35
Source of Spectrum SO-0-1236-2
Wiley ID 1544614