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N-(2-benzhydryl-4-keto-quinazolin-3-yl)-N-isobutyryl-2-methyl-propionamide

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

N-(2-benzhydryl-4-keto-quinazolin-3-yl)-N-isobutyryl-2-methyl-propionamide
SpectraBase Compound ID 68A67Is8J1V
InChI InChI=1S/C29H29N3O3/c1-19(2)27(33)32(28(34)20(3)4)31-26(30-24-18-12-11-17-23(24)29(31)35)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20,25H,1-4H3
InChIKey DISOPZLRSARUKM-UHFFFAOYSA-N
Mol Weight 467.57 g/mol
Molecular Formula C29H29N3O3
Exact Mass 467.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WrgHu7oWTV
Name N-(2-Benzhydryl-4-keto-quinazolin-3-yl)-N-isobutyryl-2-methyl-propionamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.220891803 u
Formula C29H29N3O3
InChI InChI=1S/C29H29N3O3/c1-19(2)27(33)32(28(34)20(3)4)31-26(30-24-18-12-11-17-23(24)29(31)35)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20,25H,1-4H3
InChIKey DISOPZLRSARUKM-UHFFFAOYSA-N
Molecular Weight 467.569 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)N(C(=O)C(C)C)C(=O)C(C)C)C(C1=CC=CC=C1)C1=CC=CC=C1