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N-(t-Butyl)-3-(triphenylphosphoranylideneamino)pyrazine-2-carboxamide

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

N-(t-Butyl)-3-(triphenylphosphoranylideneamino)pyrazine-2-carboxamide
SpectraBase Compound ID 1psAZ39QPDy
InChI InChI=1S/C27H27N4OP/c1-27(2,3)30-26(32)24-25(29-20-19-28-24)31-33(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-20H,1-3H3,(H,30,32)
InChIKey KYUKRCFOCHGCEZ-UHFFFAOYSA-N
Mol Weight 454.51 g/mol
Molecular Formula C27H27N4OP
Exact Mass 454.192249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQuUIcZ8ue7
Name N-(T-Butyl)-3-(triphenylphosphoranylideneamino)pyrazine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.192248502 u
Formula C27H27N4OP
InChI InChI=1S/C27H27N4OP/c1-27(2,3)30-26(32)24-25(29-20-19-28-24)31-33(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-20H,1-3H3,(H,30,32)
InChIKey KYUKRCFOCHGCEZ-UHFFFAOYSA-N
Molecular Weight 454.514 g/mol
SMILES C=1(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C=2C=CC=CC2)C(C(NC(C)(C)C)=O)=NC=CN1