| SpectraBase Spectrum ID |
68A2vdpH2f7 |
| Name |
2-(2-Hydroxy-1-methyl-2-phenylethyl)-3-(2-phenoxybutyrylamino)quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.200156357 u |
| Formula |
C27H27N3O4 |
| InChI |
InChI=1S/C27H27N3O4/c1-3-23(34-20-14-8-5-9-15-20)26(32)29-30-25(18(2)24(31)19-12-6-4-7-13-19)28-22-17-11-10-16-21(22)27(30)33/h4-18,23-24,31H,3H2,1-2H3,(H,29,32) |
| InChIKey |
QRFAHZCKYXCNDW-UHFFFAOYSA-N |
| Molecular Weight |
457.530 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C=CC=C2)=O)NC(C(OC1=CC=CC=C1)CC)=O)C(C(C=1C=CC=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84721 |
