| SpectraBase Compound ID | 3ceVNF5EM0N |
|---|---|
| InChI | InChI=1S/C9H5ClO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H |
| InChIKey | RQOTXVGXRZBLNZ-UHFFFAOYSA-N |
| Mol Weight | 196.59 g/mol |
| Molecular Formula | C9H5ClO3 |
| Exact Mass | 195.992722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3d81P1BcwJd |
|---|---|
| Name | 3-Chloro-7-hydroxy-4H-chromen-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.992721718 u |
| Formula | C9H5ClO3 |
| InChI | InChI=1S/C9H5ClO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H |
| InChIKey | RQOTXVGXRZBLNZ-UHFFFAOYSA-N |
| Molecular Weight | 196.589 g/mol |
| SMILES | C1=C(C(C2=CC=C(C=C2O1)O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927664 |