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2-Anilino-3-(triphenylphosphoranylideneamino)-4-quinazolinone

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

2-Anilino-3-(triphenylphosphoranylideneamino)-4-quinazolinone
SpectraBase Compound ID Ceg1Ca2AXsF
InChI InChI=1S/C32H25N4OP/c37-31-29-23-13-14-24-30(29)34-32(33-25-15-5-1-6-16-25)36(31)35-38(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H,(H,33,34)
InChIKey NNVWITGXAPVLBK-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C32H25N4OP
Exact Mass 512.176598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HIoafvVi91
Name 2-Anilino-3-(triphenylphosphoranylideneamino)-4-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.176598438 u
Formula C32H25N4OP
InChI InChI=1S/C32H25N4OP/c37-31-29-23-13-14-24-30(29)34-32(33-25-15-5-1-6-16-25)36(31)35-38(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H,(H,33,34)
InChIKey NNVWITGXAPVLBK-UHFFFAOYSA-N
Molecular Weight 512.553 g/mol
SMILES C=1(P(C=2C=CC=CC2)(C=2C=CC=CC2)=NN2C(=NC3=C(C2=O)C=CC=C3)NC=2C=CC=CC2)C=CC=CC1