| SpectraBase Compound ID | AwyWDb0mbNi |
|---|---|
| InChI | InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
| InChIKey | WNVUYAMRIXEZAT-UHFFFAOYSA-N |
| Mol Weight | 262.05 g/mol |
| Molecular Formula | C8H7IO2 |
| Exact Mass | 261.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13X269yU6qQ |
|---|---|
| Name | 2-Iodo-4-methylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.949074463 u |
| Formula | C8H7IO2 |
| InChI | InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
| InChIKey | WNVUYAMRIXEZAT-UHFFFAOYSA-N |
| Molecular Weight | 262.046 g/mol |
| SMILES | C=1(C(=CC(C)=CC1)I)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892512 |