| SpectraBase Spectrum ID |
8sD18s3yBMW |
| Name |
N-(3-Bromo-1,1,1-trifluoroisopropylidene)benzylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.987046783 u |
| Formula |
C10H9BrF3N |
| InChI |
InChI=1S/C10H9BrF3N/c11-6-9(10(12,13)14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2/b15-9+ |
| InChIKey |
XHABHQDJVAFWGC-OQLLNIDSSA-N |
| Molecular Weight |
280.088 g/mol |
| SMILES |
C(\C(=N\CC=1C=CC=CC1)CBr)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845854 |