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YCHWVVRRUABUBR-UHFFFAOYSA-N

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

YCHWVVRRUABUBR-UHFFFAOYSA-N
SpectraBase Compound ID AQ4JY1Bapw5
InChI InChI=1S/C29H24N3OP/c1-23-28(22-33)29(32(30-23)24-14-6-2-7-15-24)31-34(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3
InChIKey YCHWVVRRUABUBR-UHFFFAOYSA-N
Mol Weight 461.5 g/mol
Molecular Formula C29H24N3OP
Exact Mass 461.165699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfbfjoHc95T
Name 4-formyl-3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole
CAS Registry Number 115437-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N3OP
InChI InChI=1S/C29H24N3OP/c1-23-28(22-33)29(32(30-23)24-14-6-2-7-15-24)31-34(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3
InChIKey YCHWVVRRUABUBR-UHFFFAOYSA-N
Molecular Weight 461.505 g/mol
SMILES c1([n](nc(c1C=O)C)-c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-03e9-1914500000-4b9260a2acee938a5c99
Source of Spectrum J-53-4658-11
Synonyms 3-Methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole-4-carbaldehyde
Wiley ID 1390836