| SpectraBase Compound ID | FSAqNolrWbu |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(3-8-13(14)15)9-11-4-6-12(16-2)7-5-11/h4-7H,1,3,8-9H2,2H3,(H,14,15) |
| InChIKey | CAXVWTDZUIWRJK-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 | ZiYrqrmrrL |
|---|---|
| Name | 4-(4-Methoxybenzyl)pent-4-enoic acid |
| 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(3-8-13(14)15)9-11-4-6-12(16-2)7-5-11/h4-7H,1,3,8-9H2,2H3,(H,14,15) |
| InChIKey | CAXVWTDZUIWRJK-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(O)(CCC(=C)CC1=CC=C(C=C1)OC)=O |