| SpectraBase Compound ID | Bj5t0yey1D2 |
|---|---|
| InChI | InChI=1S/C9H9ClF3N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3-4,14H2 |
| InChIKey | VQDAMHFYKGEPDG-UHFFFAOYSA-N |
| Mol Weight | 223.63 g/mol |
| Molecular Formula | C9H9ClF3N |
| Exact Mass | 223.037561 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GCec2kITe0H |
|---|---|
| Name | 4-Chloro-3-(trifluoromethyl)phenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.037561483 u |
| Formula | C9H9ClF3N |
| InChI | InChI=1S/C9H9ClF3N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3-4,14H2 |
| InChIKey | VQDAMHFYKGEPDG-UHFFFAOYSA-N |
| Molecular Weight | 223.626 g/mol |
| SMILES | C(C=1C(=CC=C(C1)CCN)Cl)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911141 |