| SpectraBase Compound ID | 7lpfXBCWuia |
|---|---|
| InChI | InChI=1S/C9H4ClNO4/c10-6-1-2-8-5(3-6)4-7(11(13)14)9(12)15-8/h1-4H |
| InChIKey | UUTRKIYKWPWYSI-UHFFFAOYSA-N |
| Mol Weight | 225.59 g/mol |
| Molecular Formula | C9H4ClNO4 |
| Exact Mass | 224.982885 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CIlFVWkRlI8 |
|---|---|
| Name | 6-Hydroxy-3-nitrocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.982885309 u |
| Formula | C9H4ClNO4 |
| InChI | InChI=1S/C9H4ClNO4/c10-6-1-2-8-5(3-6)4-7(11(13)14)9(12)15-8/h1-4H |
| InChIKey | UUTRKIYKWPWYSI-UHFFFAOYSA-N |
| Molecular Weight | 225.587 g/mol |
| SMILES | C1(=O)C(N(=O)=O)=CC2=CC(Cl)=CC=C2O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85099 |