| SpectraBase Compound ID | 4POifr4Cxvj |
|---|---|
| InChI | InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12) |
| InChIKey | VXBQLSVFGIFOPQ-UHFFFAOYSA-N |
| Mol Weight | 192.55 g/mol |
| Molecular Formula | C7H3ClF2O2 |
| Exact Mass | 191.978963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7J2iCgwC3oV |
|---|---|
| Name | 5-Chloro-2,4-difluorobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.978963361 u |
| Formula | C7H3ClF2O2 |
| InChI | InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12) |
| InChIKey | VXBQLSVFGIFOPQ-UHFFFAOYSA-N |
| Molecular Weight | 192.549 g/mol |
| SMILES | C(C1=C(C=C(C(=C1)Cl)F)F)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868628 |