| SpectraBase Compound ID | 7sZXx2MsI5v |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3 |
| InChIKey | SOPXONVPFCTXLA-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 | 4sRn0Hfs68y |
|---|---|
| Name | 3-Methoxybenzoic acid, 3-phenylpropyl 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/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3 |
| InChIKey | SOPXONVPFCTXLA-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CCCOC(C1=CC=CC(=C1)OC)=O |