| SpectraBase Spectrum ID |
1xfGQueBRth |
| Name |
3-Ethyl-2-[4-(3-ethyl-1,2,3,4-tetrahydro-4-oxoquinazolin-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.205576091 u |
| Formula |
C26H26N4O2 |
| InChI |
InChI=1S/C26H26N4O2/c1-3-29-23(27-21-11-7-5-9-19(21)25(29)31)17-13-15-18(16-14-17)24-28-22-12-8-6-10-20(22)26(32)30(24)4-2/h5-16,23-24,27-28H,3-4H2,1-2H3 |
| InChIKey |
OLVQHTFEFKZTKZ-UHFFFAOYSA-N |
| Molecular Weight |
426.520 g/mol |
| SMILES |
C1(N(C(NC=2C=CC=CC12)C1=CC=C(C2N(C(=O)C3=C(N2)C=CC=C3)CC)C=C1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879568 |
![3-Ethyl-2-[4-(3-ethyl-1,2,3,4-tetrahydro-4-oxoquinazolin-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one](/api/spectrum/1xfGQueBRth/structure.png?h=300&w=458 "3-Ethyl-2-[4-(3-ethyl-1,2,3,4-tetrahydro-4-oxoquinazolin-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one")
