| SpectraBase Compound ID | DjYEMKhDbnU |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-22-18(20)16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)19(21)23-2/h3-11,16H,12-13H2,1-2H3 |
| InChIKey | KXYNIWSTCAWPES-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IblcTidkr0 |
|---|---|
| Name | 2-(2-Benzyl-3-keto-3-methoxy-propyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-22-18(20)16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)19(21)23-2/h3-11,16H,12-13H2,1-2H3 |
| InChIKey | KXYNIWSTCAWPES-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C=1(C(C(=O)OC)=CC=CC1)CC(C(=O)OC)CC1=CC=CC=C1 |