SpectraBase Spectrum ID |
66YM8dUL2MO |
Name |
5-Amino-2-(para-methoxyphenyl)-2,3-dihydro-[1.2.4]-triazolo-[1.5-A]-[1.3.5]-triazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.107259029 u |
Formula |
C11H12N6O |
InChI |
InChI=1S/C11H12N6O/c1-18-8-4-2-7(3-5-8)9-15-11-14-6-13-10(12)17(11)16-9/h2-6,9,16H,1H3,(H2,12,13,14,15) |
InChIKey |
BVQVGMQAUWZHPZ-UHFFFAOYSA-N |
Molecular Weight |
244.258 g/mol |
SMILES |
C=1(OC)C=CC(=CC1)C1NN2C(N)=NC=NC2=N1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867226 |