| SpectraBase Compound ID | 8DWFDWqJJqD |
|---|---|
| InChI | InChI=1S/C9H9IO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | HNQYNCREQXENCK-UHFFFAOYSA-N |
| Mol Weight | 276.07 g/mol |
| Molecular Formula | C9H9IO2 |
| Exact Mass | 275.964725 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L1rHdnhWAQg |
|---|---|
| Name | 2-Iodoethanol, benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.964724528 u |
| Formula | C9H9IO2 |
| InChI | InChI=1S/C9H9IO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | HNQYNCREQXENCK-UHFFFAOYSA-N |
| Molecular Weight | 276.073 g/mol |
| SMILES | C1=CC=CC(=C1)C(OCCI)=O |
| Spectrum/Structure Validation Score (Raman) | 0.959869 |