| SpectraBase Compound ID | BDArAdoJO91 |
|---|---|
| InChI | InChI=1S/C8H5ClF2O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | MLHFIEFNBOSELY-UHFFFAOYSA-N |
| Mol Weight | 222.57 g/mol |
| Molecular Formula | C8H5ClF2O3 |
| Exact Mass | 221.989528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BWJKyO3IpIt |
|---|---|
| Name | m-Difluorochloromethoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.989528044 u |
| Formula | C8H5ClF2O3 |
| InChI | InChI=1S/C8H5ClF2O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | MLHFIEFNBOSELY-UHFFFAOYSA-N |
| Molecular Weight | 222.575 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(F)(F)Cl)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982698 |