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N-allyl-3-(triphenylphosphoranylideneamino)pyrazinamide

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

N-allyl-3-(triphenylphosphoranylideneamino)pyrazinamide
SpectraBase Compound ID 6FGx1RGfqYr
InChI InChI=1S/C26H23N4OP/c1-2-18-29-26(31)24-25(28-20-19-27-24)30-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,19-20H,1,18H2,(H,29,31)
InChIKey YCSZJCUDJFPCJB-UHFFFAOYSA-N
Mol Weight 438.47 g/mol
Molecular Formula C26H23N4OP
Exact Mass 438.160948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AD8jnnH1yd
Name N-Allyl-3-(triphenylphosphoranylideneamino)pyrazinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.160948374 u
Formula C26H23N4OP
InChI InChI=1S/C26H23N4OP/c1-2-18-29-26(31)24-25(28-20-19-27-24)30-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,19-20H,1,18H2,(H,29,31)
InChIKey YCSZJCUDJFPCJB-UHFFFAOYSA-N
Molecular Weight 438.471 g/mol
SMILES C=1(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C=2C=CC=CC2)C(C(=O)NCC=C)=NC=CN1