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5-(4-bromoanilino)-3,6-diketo-2-(triphenylphosphoranylideneamino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID 47F6PPAnmNy
InChI InChI=1S/C32H24BrN2O4P/c1-39-32(38)29-30(28(36)21-27(31(29)37)34-23-19-17-22(33)18-20-23)35-40(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21,34H,1H3
InChIKey NSFOJRSZMICAKU-UHFFFAOYSA-N
Mol Weight 611.4 g/mol
Molecular Formula C32H24BrN2O4P
Exact Mass 610.065707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bNwESaD6de
Name 5-(4-bromoanilino)-3,6-diketo-2-(triphenylphosphoranylideneamino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
Alternate Name(s) 5-(4-bromoanilino)-3,6-dioxo-2-(triphenylphosphoranylideneamino)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester methyl 5-(4-bromoanilino)-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 C32H24BrN2O4P
InChI InChI=1S/C32H24BrN2O4P/c1-39-32(38)29-30(28(36)21-27(31(29)37)34-23-19-17-22(33)18-20-23)35-40(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21,34H,1H3
InChIKey NSFOJRSZMICAKU-UHFFFAOYSA-N
Molecular Weight 611.432 g/mol
SMILES N(C=1C(C(=C(C(C1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)=O)c1ccc(cc1)Br
SPLASH splash10-03di-0070009000-bae89ead5ba9dfdeea03
Source of Spectrum SO-0-1236-2
Wiley ID 1544613