| SpectraBase Compound ID | BCjZLGhbEnB |
|---|---|
| InChI | InChI=1S/C10H9ClO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
| InChIKey | DPZZGIRQJCKZAU-UHFFFAOYSA-N |
| Mol Weight | 212.63 g/mol |
| Molecular Formula | C10H9ClO3 |
| Exact Mass | 212.024022 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GdPLtWnIiqI |
|---|---|
| Name | 1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.024021847 u |
| Formula | C10H9ClO3 |
| InChI | InChI=1S/C10H9ClO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
| InChIKey | DPZZGIRQJCKZAU-UHFFFAOYSA-N |
| Molecular Weight | 212.632 g/mol |
| SMILES | C1(Cl)=CC=C(C(=C1)C(CC(C)=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.7253 |