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XKURAUBFXAPLEA-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

XKURAUBFXAPLEA-UHFFFAOYSA-N
SpectraBase Compound ID 6zA003KPH2d
InChI InChI=1S/C43H36ClN4OP/c1-32-23-29-36(30-24-32)47(43(49)34-25-27-35(44)28-26-34)31-41-33(2)45-48(37-15-7-3-8-16-37)42(41)46-50(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-30H,31H2,1-2H3
InChIKey XKURAUBFXAPLEA-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C43H36ClN4OP
Exact Mass 690.231526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rCoF7OoW80
Name 4-[N-(4-Chlorobenzoyl)-N-(4-methylphenyl)amino]methyl-3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole
Alternate Name(s) 4-Chloro-N-(4-methylphenyl)-N-({3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazol-4-yl}methyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H36ClN4OP
InChI InChI=1S/C43H36ClN4OP/c1-32-23-29-36(30-24-32)47(43(49)34-25-27-35(44)28-26-34)31-41-33(2)45-48(37-15-7-3-8-16-37)42(41)46-50(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-30H,31H2,1-2H3
InChIKey XKURAUBFXAPLEA-UHFFFAOYSA-N
Molecular Weight 691.215 g/mol
SMILES c1(n[n](c(c1CN(c1ccc(cc1)C)C(c1ccc(cc1)Cl)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)-c1ccccc1)C
SPLASH splash10-000i-0900000000-a8fe4ae7c5b200b70bea
Source of Spectrum SO-0-470-7
Wiley ID 1541355