| SpectraBase Compound ID | D2BUxfT4DlB |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-6-8-5-13-10(11)7(8)3-4-9(6)12-2/h3-4H,5H2,1-2H3 |
| InChIKey | SVKDHLORCWJCIG-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4fRbjl1bG7e |
|---|---|
| Name | 5-Methoxy-4-methylphthalide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-6-8-5-13-10(11)7(8)3-4-9(6)12-2/h3-4H,5H2,1-2H3 |
| InChIKey | SVKDHLORCWJCIG-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C=12C(=C(C=CC1C(OC2)=O)OC)C |
| Spectrum/Structure Validation Score (Raman) | 0.931225 |