| SpectraBase Compound ID | CpVqz2bpvA9 |
|---|---|
| InChI | InChI=1S/C7H6ClF2N/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2H,3,11H2 |
| InChIKey | CZMMBJBQUHJIGX-UHFFFAOYSA-N |
| Mol Weight | 177.58 g/mol |
| Molecular Formula | C7H6ClF2N |
| Exact Mass | 177.015683 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 | HntspMM2M3y |
|---|---|
| Name | 5-Chloro-2,4-difluorobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.015683223 u |
| Formula | C7H6ClF2N |
| InChI | InChI=1S/C7H6ClF2N/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2H,3,11H2 |
| InChIKey | CZMMBJBQUHJIGX-UHFFFAOYSA-N |
| Molecular Weight | 177.582 g/mol |
| SMILES | C1(F)=C(C=C(C(=C1)F)CN)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868213 |