| SpectraBase Spectrum ID |
EgO1e2g4z8X |
| Name |
1-(4-Fluorophenyl)-3,5-bis(4-methylphenyl)-1,3,5-triazinan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.174690502 u |
| Formula |
C23H22FN3O |
| InChI |
InChI=1S/C23H22FN3O/c1-17-3-9-20(10-4-17)25-15-26(21-11-5-18(2)6-12-21)23(28)27(16-25)22-13-7-19(24)8-14-22/h3-14H,15-16H2,1-2H3 |
| InChIKey |
LGWYBWLJLNJZAV-UHFFFAOYSA-N |
| Molecular Weight |
375.447 g/mol |
| SMILES |
C1(N(CN(CN1C=1C=CC(=CC1)F)C1=CC=C(C=C1)C)C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893663 |
