| SpectraBase Compound ID | 11P2ccTqFwo |
|---|---|
| InChI | InChI=1S/C11H8O4/c1-7(12)14-10-6-11(13)15-9-5-3-2-4-8(9)10/h2-6H,1H3 |
| InChIKey | SRARKTGXURXSHN-UHFFFAOYSA-N |
| Mol Weight | 204.18 g/mol |
| Molecular Formula | C11H8O4 |
| Exact Mass | 204.042259 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CvnSwomr4A3 |
|---|---|
| Name | 4-Hydroxycoumarin, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.042258734 u |
| Formula | C11H8O4 |
| InChI | InChI=1S/C11H8O4/c1-7(12)14-10-6-11(13)15-9-5-3-2-4-8(9)10/h2-6H,1H3 |
| InChIKey | SRARKTGXURXSHN-UHFFFAOYSA-N |
| Molecular Weight | 204.181 g/mol |
| SMILES | C1=CC=CC2=C1OC(C=C2OC(=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.857993 |