| SpectraBase Spectrum ID |
JPNIVOfM5Kw |
| Name |
5-Phenyl-7-(1,1,2,2-tetrafluoro-ethyl)-2,3-dihydro-1H-[1,4]diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.093661046 u |
| Formula |
C13H12F4N2 |
| InChI |
InChI=1S/C13H12F4N2/c14-12(15)13(16,17)11-8-10(18-6-7-19-11)9-4-2-1-3-5-9/h1-5,8,12,19H,6-7H2 |
| InChIKey |
VGZBFFWHTDUILW-UHFFFAOYSA-N |
| Molecular Weight |
272.247 g/mol |
| SMILES |
C(C1=CC(=NCCN1)C1=CC=CC=C1)(C(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863489 |
![5-Phenyl-7-(1,1,2,2-tetrafluoro-ethyl)-2,3-dihydro-1H-[1,4]diazepine](/api/spectrum/JPNIVOfM5Kw/structure.png?h=300&w=458 "5-Phenyl-7-(1,1,2,2-tetrafluoro-ethyl)-2,3-dihydro-1H-[1,4]diazepine")
