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

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

2-(1-Diphenylhydroxymethylpropyl)-3-(2-phenoxybutyrylamino)quinazolin-4(3H)-one
SpectraBase Compound ID Ly4IXyeuAXo
InChI InChI=1S/C34H33N3O4/c1-3-28(34(40,24-16-8-5-9-17-24)25-18-10-6-11-19-25)31-35-29-23-15-14-22-27(29)33(39)37(31)36-32(38)30(4-2)41-26-20-12-7-13-21-26/h5-23,28,30,40H,3-4H2,1-2H3,(H,36,38)
InChIKey IOKIBPVUUKKGCI-UHFFFAOYSA-N
Mol Weight 547.7 g/mol
Molecular Formula C34H33N3O4
Exact Mass 547.247107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LzFybOSjUT
Name 2-(1-Diphenylhydroxymethylpropyl)-3-(2-phenoxybutyrylamino)quinazolin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 547.247106551 u
Formula C34H33N3O4
InChI InChI=1S/C34H33N3O4/c1-3-28(34(40,24-16-8-5-9-17-24)25-18-10-6-11-19-25)31-35-29-23-15-14-22-27(29)33(39)37(31)36-32(38)30(4-2)41-26-20-12-7-13-21-26/h5-23,28,30,40H,3-4H2,1-2H3,(H,36,38)
InChIKey IOKIBPVUUKKGCI-UHFFFAOYSA-N
Molecular Weight 547.655 g/mol
SMILES C=1(N(C(C=2C(N1)=CC=CC2)=O)NC(C(OC=1C=CC=CC1)CC)=O)C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)CC