| SpectraBase Compound ID | L2Q6ROoJYEg |
|---|---|
| InChI | InChI=1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12) |
| InChIKey | XBRYEHVBBMSSCG-UHFFFAOYSA-N |
| Mol Weight | 202.59 g/mol |
| Molecular Formula | C8H7ClO4 |
| Exact Mass | 202.003286 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BgWlYzaKJJf |
|---|---|
| Name | 5-Chlorovanillic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.003286401 u |
| Formula | C8H7ClO4 |
| InChI | InChI=1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12) |
| InChIKey | XBRYEHVBBMSSCG-UHFFFAOYSA-N |
| Molecular Weight | 202.593 g/mol |
| SMILES | C1=C(C(=C(C=C1C(O)=O)OC)O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895605 |