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UIJXMPRSDJDQPN-UHFFFAOYSA-N

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

UIJXMPRSDJDQPN-UHFFFAOYSA-N
SpectraBase Compound ID Ao3SzZoWkUN
InChI InChI=1S/C38H35N4OP/c1-29-24-26-32(27-25-29)41(31(3)43)28-37-30(2)39-42(33-16-8-4-9-17-33)38(37)40-44(34-18-10-5-11-19-34,35-20-12-6-13-21-35)36-22-14-7-15-23-36/h4-27H,28H2,1-3H3
InChIKey UIJXMPRSDJDQPN-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C38H35N4OP
Exact Mass 594.254849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I12RfCmNjwb
Name 4-[N-acetyl-N-(4-methylphenyl)amino]methyl-3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole
Alternate Name(s) N-(4-methylphenyl)-N-({3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazol-4-yl}methyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H35N4OP
InChI InChI=1S/C38H35N4OP/c1-29-24-26-32(27-25-29)41(31(3)43)28-37-30(2)39-42(33-16-8-4-9-17-33)38(37)40-44(34-18-10-5-11-19-34,35-20-12-6-13-21-35)36-22-14-7-15-23-36/h4-27H,28H2,1-3H3
InChIKey UIJXMPRSDJDQPN-UHFFFAOYSA-N
Molecular Weight 594.699 g/mol
SMILES c1(n[n](c(c1CN(c1ccc(cc1)C)C(=O)C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)-c1ccccc1)C
SPLASH splash10-053s-1900300000-75be0cf87f3a6df208a9
Source of Spectrum SO-0-470-7
Wiley ID 1541356