| SpectraBase Compound ID | 3qlZXZI5Dqu |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-18-15-9-5-8-14(12-15)16(17)19-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3 |
| InChIKey | BGOXSPQGPITZLB-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Y5Lfxk59H6 |
|---|---|
| Name | 3-Methoxybenzoic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-18-15-9-5-8-14(12-15)16(17)19-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3 |
| InChIKey | BGOXSPQGPITZLB-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C1=CC=CC=C1CCOC(C1=CC=CC(=C1)OC)=O |