| SpectraBase Compound ID | 88RpNVMPr14 |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | NKVUYEGKHRDEBB-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AJ5CvAVBkeK |
|---|---|
| Name | 3-Chloro-2-(methyloxy)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | NKVUYEGKHRDEBB-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1=CC(=C(C(=C1)C(O)=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950805 |