| SpectraBase Spectrum ID |
Gi481lDlSiF |
| Name |
2,3-Dihydro-5-trifluoromethyl-7-[4'-( trifluoromethyl)phenyl]-1,4-diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.074817308 u |
| Formula |
C13H10F6N2 |
| InChI |
InChI=1S/C13H10F6N2/c14-12(15,16)9-3-1-8(2-4-9)10-7-11(13(17,18)19)21-6-5-20-10/h1-4,7,21H,5-6H2 |
| InChIKey |
PGDXYABGHKLFHF-UHFFFAOYSA-N |
| Molecular Weight |
308.227 g/mol |
| SMILES |
C1(=CC(=NCCN1)C1=CC=C(C(F)(F)F)C=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924045 |
![2,3-Dihydro-5-trifluoromethyl-7-[4'-( trifluoromethyl)phenyl]-1,4-diazepine](/api/spectrum/Gi481lDlSiF/structure.png?h=300&w=458 "2,3-Dihydro-5-trifluoromethyl-7-[4'-( trifluoromethyl)phenyl]-1,4-diazepine")
