| SpectraBase Spectrum ID |
LXmj9xFJ5Cr |
| Name |
Benzonitrile, 2-[1,5-dihydro-3-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazol-4-yl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.096025640 u |
| Formula |
C16H12N4O2 |
| InChI |
InChI=1S/C16H12N4O2/c1-22-13-8-6-11(7-9-13)15-18-19-16(21)20(15)14-5-3-2-4-12(14)10-17/h2-9H,1H3,(H,19,21) |
| InChIKey |
BDUKVFBEFMKWJT-UHFFFAOYSA-N |
| Molecular Weight |
292.298 g/mol |
| SMILES |
C=1(N(C(=O)NN1)C=1C(C#N)=CC=CC1)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872295 |
![Benzonitrile, 2-[1,5-dihydro-3-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazol-4-yl]-](/api/spectrum/LXmj9xFJ5Cr/structure.png?h=300&w=458 "Benzonitrile, 2-[1,5-dihydro-3-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazol-4-yl]-")
