| SpectraBase Spectrum ID |
LAR36N273jp |
| Name |
Urea, (6-cyano-3,4-dihydro-4-methyl-3-oxo-2-phenyl-1,3,5-triazin-5(2H)-ylidene)phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.117823713 u |
| Formula |
C18H14N6O2 |
| InChI |
InChI=1S/C18H14N6O2/c1-23-16(21-17(25)20-13-8-4-2-5-9-13)15(12-19)22-24(18(23)26)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,25)/b21-16+ |
| InChIKey |
TUTHAXLHLQAUDE-LTGZKZEYSA-N |
| Molecular Weight |
346.350 g/mol |
| SMILES |
C1(N(\C(C(=NN1C=1C=CC=CC1)C#N)=N/C(NC1=CC=CC=C1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950033 |
