| SpectraBase Compound ID | Dfri9ZmskyK |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-8(2)12(14)18-10-6-5-9(13(15)17-4)7-11(10)16-3/h5-8H,1-4H3 |
| InChIKey | NAPXROWDUPCMHZ-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpBRlgxUaj9 |
|---|---|
| Name | Methyl vanillate, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-8(2)12(14)18-10-6-5-9(13(15)17-4)7-11(10)16-3/h5-8H,1-4H3 |
| InChIKey | NAPXROWDUPCMHZ-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C(C1=CC(=C(C=C1)OC(C(C)C)=O)OC)(=O)OC |