| SpectraBase Compound ID | HDTtgerfkau |
|---|---|
| InChI | InChI=1S/C7H5ClO4/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,3,11H,2H2 |
| InChIKey | DVYZUYZEDBQMSG-UHFFFAOYSA-N |
| Mol Weight | 188.57 g/mol |
| Molecular Formula | C7H5ClO4 |
| Exact Mass | 187.987636 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JXrZ3EvNZSy |
|---|---|
| Name | 6-Chloromethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.987636337 u |
| Formula | C7H5ClO4 |
| InChI | InChI=1S/C7H5ClO4/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,3,11H,2H2 |
| InChIKey | DVYZUYZEDBQMSG-UHFFFAOYSA-N |
| Molecular Weight | 188.566 g/mol |
| SMILES | OC1=C(OC(=CC1=O)CCl)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.965632 |