| SpectraBase Compound ID | KMZNcHZvlWq |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-12-9-10-14(17(18)20-3)16(15(12)19-2)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey | RVGBELVWXKCBDY-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38J3y05WO4I |
|---|---|
| Name | Benzoic acid, 3-methoxy-4-methyl-2-(phenylmethoxy)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-12-9-10-14(17(18)20-3)16(15(12)19-2)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey | RVGBELVWXKCBDY-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(OC)C(=CC1)C)OCC=1C=CC=CC1)C(=O)OC |