| SpectraBase Spectrum ID |
LET22i30Fm1 |
| Name |
1H-1,2,4-Triazole-5-acetonitrile, 4,5-dihydro-4-(4-methoxyphenyl)-1,3,5-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.195011408 u |
| Formula |
C29H24N4O |
| InChI |
InChI=1S/C29H24N4O/c1-34-27-19-17-25(18-20-27)32-28(23-11-5-2-6-12-23)31-33(26-15-9-4-10-16-26)29(32,21-22-30)24-13-7-3-8-14-24/h2-20H,21H2,1H3 |
| InChIKey |
PCFVGWKRIRDANQ-UHFFFAOYSA-N |
| Molecular Weight |
444.538 g/mol |
| SMILES |
C1(N(C(=NN1C1=CC=CC=C1)C=1C=CC=CC1)C=1C=CC(=CC1)OC)(CC#N)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858306 |
