| SpectraBase Compound ID | 5Ws9pR5Vg47 |
|---|---|
| InChI | InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | PXNOLLHARLSLHY-UHFFFAOYSA-N |
| Mol Weight | 278.05 g/mol |
| Molecular Formula | C8H7IO3 |
| Exact Mass | 277.943989 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5dmNASctvXO |
|---|---|
| Name | 4-Hydroxy-3-iodo-benzoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.943989082 u |
| Formula | C8H7IO3 |
| InChI | InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | PXNOLLHARLSLHY-UHFFFAOYSA-N |
| Molecular Weight | 278.045 g/mol |
| SMILES | C1(O)=C(C=C(C=C1)C(=O)OC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972198 |