| SpectraBase Compound ID | FLc0UeEMSra |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h2-5,11H,1H3 |
| InChIKey | KZTGTVVRGQELJS-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GZKQ2uTSq7R |
|---|---|
| Name | 5-Hydroxy-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h2-5,11H,1H3 |
| InChIKey | KZTGTVVRGQELJS-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | OC=1C=2C(=CC(OC2C=CC1)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.930246 |