| SpectraBase Spectrum ID |
iTwjtlxtP1 |
| Name |
2-[(4-Chloranylphenoxy)methyl]-3-phenyl-[1,2,4]triazolo[5,1-B]quinazolin-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.088353437 u |
| Formula |
C22H15ClN4O2 |
| InChI |
InChI=1S/C22H15ClN4O2/c23-15-10-12-17(13-11-15)29-14-20-25-27-21(28)18-8-4-5-9-19(18)24-22(27)26(20)16-6-2-1-3-7-16/h1-13H,14H2 |
| InChIKey |
OTMQWMDSDMMSOO-UHFFFAOYSA-N |
| Molecular Weight |
402.841 g/mol |
| SMILES |
C12=NC=3C=CC=CC3C(N2N=C(N1C=1C=CC=CC1)COC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870405 |
![2-[(4-Chloranylphenoxy)methyl]-3-phenyl-[1,2,4]triazolo[5,1-B]quinazolin-9-one](/api/spectrum/iTwjtlxtP1/structure.png?h=300&w=458 "2-[(4-Chloranylphenoxy)methyl]-3-phenyl-[1,2,4]triazolo[5,1-B]quinazolin-9-one")
