| SpectraBase Compound ID | Ffz336qLc9G |
|---|---|
| InChI | InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3 |
| InChIKey | VIIIJFZJKFXOGG-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C10H8O2 |
| Exact Mass | 160.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3I2l9ODEbUo |
|---|---|
| Name | 3-Methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.052429496 u |
| Formula | C10H8O2 |
| InChI | InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3 |
| InChIKey | VIIIJFZJKFXOGG-UHFFFAOYSA-N |
| Molecular Weight | 160.172 g/mol |
| SMILES | C=12C=CC=CC1C=C(C(O2)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.849177 |