| SpectraBase Compound ID | EFevIhGgX9Y |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-12(2,3)11(13)16-8-4-5-9-10(6-8)15-7-14-9/h4-6H,7H2,1-3H3 |
| InChIKey | QLDPMKZMZSUJHO-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ltMgvlEX70 |
|---|---|
| Name | Sesamol, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-12(2,3)11(13)16-8-4-5-9-10(6-8)15-7-14-9/h4-6H,7H2,1-3H3 |
| InChIKey | QLDPMKZMZSUJHO-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1(OC(C(C)(C)C)=O)=CC2=C(C=C1)OCO2 |