| SpectraBase Compound ID | GCBXm7RCksk |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-6-9(13-2)4-7-8(10(6)14-3)5-15-11(7)12/h4H,5H2,1-3H3 |
| InChIKey | SMPFFFNJPZGABS-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3FDfdT1UVlf |
|---|---|
| Name | 4,6-Dimethoxy-5-methylphthalide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-6-9(13-2)4-7-8(10(6)14-3)5-15-11(7)12/h4H,5H2,1-3H3 |
| InChIKey | SMPFFFNJPZGABS-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1(OCC=2C1=CC(=C(C2OC)C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928222 |