| SpectraBase Compound ID | CYCrmBx4kPu |
|---|---|
| InChI | InChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2 |
| InChIKey | AZUVDYQFPSARIG-UHFFFAOYSA-N |
| Mol Weight | 252.01 g/mol |
| Molecular Formula | C6H5IO3 |
| Exact Mass | 251.928339 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4FYZNHjgCQN |
|---|---|
| Name | 5-Hydroxy-2-(iodomethyl)-4H-pyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.928339018 u |
| Formula | C6H5IO3 |
| InChI | InChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2 |
| InChIKey | AZUVDYQFPSARIG-UHFFFAOYSA-N |
| Molecular Weight | 252.007 g/mol |
| SMILES | OC=1C(=O)C=C(OC1)CI |
| Spectrum/Structure Validation Score (Raman) | 0.969263 |