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2H-Isoindole-2-acetic acid, 1,3-dihydro-1-oxo-.alpha.-(triphenylphosphoranylidene)-, (4-nitrophenyl)methyl ester
SpectraBase Compound ID AGs20XolWx9
InChI InChI=1S/C35H27N2O5P/c38-33-32-19-11-10-12-27(32)24-36(33)34(35(39)42-25-26-20-22-28(23-21-26)37(40)41)43(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-23H,24-25H2
InChIKey SCHNYLKXAJHKIE-UHFFFAOYSA-N
Mol Weight 586.6 g/mol
Molecular Formula C35H27N2O5P
Exact Mass 586.165759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gkz5IOpRk9
Name 2H-Isoindole-2-acetic acid, 1,3-dihydro-1-oxo-.alpha.-(triphenylphosphoranylidene)-, (4-nitrophenyl)methyl ester
CAS Registry Number 127200-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H27N2O5P
InChI InChI=1S/C35H27N2O5P/c38-33-32-19-11-10-12-27(32)24-36(33)34(35(39)42-25-26-20-22-28(23-21-26)37(40)41)43(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-23H,24-25H2
InChIKey SCHNYLKXAJHKIE-UHFFFAOYSA-N
Molecular Weight 586.584 g/mol
SMILES C(N1C(c2ccccc2C1)=O)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-03di-0590010000-f30669de841b1b19dc20
Source of Spectrum KC-1989-2255-6
Synonyms 4-Nitrobenzyl (1-oxo-1,3-dihydro-2H-isoindol-2-yl)(triphenylphosphoranylidene)acetate p-Nitrobenzyl 2-(1-oxoisoindolin-2-yl)-2-(triphenylphosphoranediyl)acetate
Wiley ID 1409062