| SpectraBase Spectrum ID |
6KYRTAtl4ty |
| Name |
1,2,4-Triazine-6-carbonitrile, 2-(2-chlorophenyl)-2,3,4,5-tetrahydro-4-methyl-3,5-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.025753179 u |
| Formula |
C11H7ClN4O2 |
| InChI |
InChI=1S/C11H7ClN4O2/c1-15-10(17)8(6-13)14-16(11(15)18)9-5-3-2-4-7(9)12/h2-5H,1H3 |
| InChIKey |
BWJHYICBDALMFU-UHFFFAOYSA-N |
| SMILES |
C1(N(N=C(C(N1C)=O)C#N)C=1C(Cl)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950814 |
