| SpectraBase Compound ID | Hn9GFEzL5C4 |
|---|---|
| InChI | InChI=1S/C9H6ClF3O2/c1-5-4-6(10)2-3-7(5)15-8(14)9(11,12)13/h2-4H,1H3 |
| InChIKey | VOGNGOKDVLYRGO-UHFFFAOYSA-N |
| Mol Weight | 238.59 g/mol |
| Molecular Formula | C9H6ClF3O2 |
| Exact Mass | 238.000842 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 | 9xrzGwKyRbp |
|---|---|
| Name | 4-Chloro-2-methylphenol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.000841620 u |
| Formula | C9H6ClF3O2 |
| InChI | InChI=1S/C9H6ClF3O2/c1-5-4-6(10)2-3-7(5)15-8(14)9(11,12)13/h2-4H,1H3 |
| InChIKey | VOGNGOKDVLYRGO-UHFFFAOYSA-N |
| Molecular Weight | 238.593 g/mol |
| SMILES | CC1=C(OC(C(F)(F)F)=O)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93189 |