| SpectraBase Compound ID | 5pAHvYVdgdu |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3 |
| InChIKey | XAAMAAXKDLWBKO-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EbpmuuenSI |
|---|---|
| Name | Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3 |
| InChIKey | XAAMAAXKDLWBKO-UHFFFAOYSA-N |
| SMILES | C1=CC(COC2=CC=C(C=C2)CCC(OC)=O)=CC=C1 |