| SpectraBase Compound ID | HlV6EJIrgo8 |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-12-9-3-2-7-5-10(11)13-6-8(7)4-9/h2-4H,5-6H2,1H3 |
| InChIKey | OWUHPMNSCPFQPX-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 | GZZSTfBhIUI |
|---|---|
| Name | 7-Methoxy-3-isochromanone |
| 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/c1-12-9-3-2-7-5-10(11)13-6-8(7)4-9/h2-4H,5-6H2,1H3 |
| InChIKey | OWUHPMNSCPFQPX-UHFFFAOYSA-N |
| SMILES | COC=1C=CC2=C(C1)COC(C2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.812996 |