| SpectraBase Compound ID | 8ARbhd1fTd2 |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | IBCQUQXCTOPJOD-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 | AnhABb5JTPR |
|---|---|
| Name | 3-Chloro-4-methoxybenzoic 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/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | IBCQUQXCTOPJOD-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1=C(C(=CC(=C1)C(=O)O)Cl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94594 |