| SpectraBase Compound ID | 9xjVm1VvN0p |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | AIAGRBSXKXJZFB-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BlDYhPe3tkK |
|---|---|
| Name | Vanillin, 2-methylpropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | AIAGRBSXKXJZFB-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=CC(C=O)=CC(=C1OCC(C)C)OC |