| SpectraBase Spectrum ID |
3kA8DAZs4XL |
| Name |
2-[(2-Isopropyl-4-keto-quinazolin-3-yl)amino]-1-phenyl-butane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.158291545 u |
| Formula |
C21H21N3O3 |
| InChI |
InChI=1S/C21H21N3O3/c1-13(2)20-22-17-12-8-7-11-16(17)21(27)24(20)23-18(14(3)25)19(26)15-9-5-4-6-10-15/h4-13,18,23H,1-3H3 |
| InChIKey |
DNZHJSCYGZHOAF-UHFFFAOYSA-N |
| Molecular Weight |
363.417 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C=CC=C2)=O)NC(C(=O)C=1C=CC=CC1)C(=O)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960813 |
![2-[(2-Isopropyl-4-keto-quinazolin-3-yl)amino]-1-phenyl-butane-1,3-dione](/api/spectrum/3kA8DAZs4XL/structure.png?h=300&w=458 "2-[(2-Isopropyl-4-keto-quinazolin-3-yl)amino]-1-phenyl-butane-1,3-dione")
