| SpectraBase Compound ID | 7P7yXAOObIb |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-12-8-2-3-9-7(6-8)4-5-13-10(9)11/h2-3,6H,4-5H2,1H3 |
| InChIKey | OWYGSJSCGLRDTB-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 | 44urkP8vLWQ |
|---|---|
| Name | 3,4-Dihydro-6-methoxyisocoumarin |
| 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/c1-12-8-2-3-9-7(6-8)4-5-13-10(9)11/h2-3,6H,4-5H2,1H3 |
| InChIKey | OWYGSJSCGLRDTB-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=CC(=CC2=C1C(=O)OCC2)OC |
| Spectrum/Structure Validation Score (Raman) | 0.991525 |