| SpectraBase Spectrum ID |
CSafCpFwXnc |
| Name |
Chlorphentermine tfa P771 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.063776231 u |
| Formula |
C12H13ClF3NO |
| InChI |
InChI=1S/C12H13ClF3NO/c1-11(2,17-10(18)12(14,15)16)7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,17,18) |
| InChIKey |
GWNVNNKWKBHPFO-UHFFFAOYSA-N |
| Molecular Weight |
279.690 g/mol |
| SMILES |
C(C(NC(CC=1C=CC(Cl)=CC1)(C)C)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890167 |
