| SpectraBase Compound ID | CCOfLRPipKV |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(14)16-9-10-7-5-6-8-11(10)15-4/h5-8H,9H2,1-4H3 |
| InChIKey | QJTHJCLLKJPTBX-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TgoyrdxB1R |
|---|---|
| Name | 2-Methoxybenzyl pivalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(14)16-9-10-7-5-6-8-11(10)15-4/h5-8H,9H2,1-4H3 |
| InChIKey | QJTHJCLLKJPTBX-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C=1C=C(COC(C(C)(C)C)=O)C(OC)=CC1 |