| SpectraBase Spectrum ID |
LBXBLmBgQBC |
| Name |
(R)-3-Benzyl-5-(3-nitro-phenyl)-1-(3-trifluoromethyl-phenyl)-imidazolidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.109290492 u |
| Formula |
C23H16F3N3O4 |
| InChI |
InChI=1S/C23H16F3N3O4/c24-23(25,26)17-9-5-10-18(13-17)28-20(16-8-4-11-19(12-16)29(32)33)21(30)27(22(28)31)14-15-6-2-1-3-7-15/h1-13,20H,14H2/t20-/m1/s1 |
| InChIKey |
GBHMSNJAANFBNB-HXUWFJFHSA-N |
| Molecular Weight |
455.393 g/mol |
| SMILES |
C1(N(C([C@](N1C=1C=C(C(F)(F)F)C=CC1)(C=1C=C(N(=O)=O)C=CC1)[H])=O)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923069 |
