| SpectraBase Compound ID | 5BsFuwBw3h8 |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-4-16-12-9-6-11(15-3)10(14-2)5-8(9)7-13-12/h5-6H,4,7H2,1-3H3 |
| InChIKey | VUHYGRDKKQEXHM-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2l2io0dn1W6 |
|---|---|
| Name | 5,6-Dimethoxy-3-ethoxy-1H-isoindole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-4-16-12-9-6-11(15-3)10(14-2)5-8(9)7-13-12/h5-6H,4,7H2,1-3H3 |
| InChIKey | VUHYGRDKKQEXHM-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C=12C=C(C(=CC1CN=C2OCC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.970495 |