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2-(1-Diphenylhydroxymethylpropyl)-3-(2-phenoxypropionylamino)quinazolin-4(3H)-one

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

2-(1-Diphenylhydroxymethylpropyl)-3-(2-phenoxypropionylamino)quinazolin-4(3H)-one
SpectraBase Compound ID 49fCC2v75Qd
InChI InChI=1S/C33H31N3O4/c1-3-28(33(39,24-15-7-4-8-16-24)25-17-9-5-10-18-25)30-34-29-22-14-13-21-27(29)32(38)36(30)35-31(37)23(2)40-26-19-11-6-12-20-26/h4-23,28,39H,3H2,1-2H3,(H,35,37)
InChIKey NENVTSMNZWBOJP-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C33H31N3O4
Exact Mass 533.231456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3q5pmKQDdfz
Name 2-(1-Diphenylhydroxymethylpropyl)-3-(2-phenoxypropionylamino)quinazolin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.231456486 u
Formula C33H31N3O4
InChI InChI=1S/C33H31N3O4/c1-3-28(33(39,24-15-7-4-8-16-24)25-17-9-5-10-18-25)30-34-29-22-14-13-21-27(29)32(38)36(30)35-31(37)23(2)40-26-19-11-6-12-20-26/h4-23,28,39H,3H2,1-2H3,(H,35,37)
InChIKey NENVTSMNZWBOJP-UHFFFAOYSA-N
Molecular Weight 533.628 g/mol
SMILES C=1(N(C(C=2C(N1)=CC=CC2)=O)NC(C(OC=1C=CC=CC1)C)=O)C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)CC