| SpectraBase Compound ID | Be5vlEhS6Jl |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(2)8-13(14)16-9-11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3 |
| InChIKey | COMSVZXYBLMUSV-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nE35wQ9tsz |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-10(2)8-13(14)16-9-11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3 |
| InChIKey | COMSVZXYBLMUSV-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | COC1=CC=C(C=C1)COC(=O)C=C(C)C |