| SpectraBase Compound ID | 8cKz8epFyg1 |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-10(2)7-8-18-12-6-5-11(14(15)17-4)9-13(12)16-3/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey | HFRPUYLHEMVYJX-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41ArgZC07fA |
|---|---|
| Name | Methyl vanillate, 3-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-10(2)7-8-18-12-6-5-11(14(15)17-4)9-13(12)16-3/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey | HFRPUYLHEMVYJX-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(C1=CC(OC)=C(C=C1)OCCC(C)C)(=O)OC |