| SpectraBase Compound ID | 9gHYeHm3yqx |
|---|---|
| InChI | InChI=1S/C19H20O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | PLZHJBTWPOYHHY-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 | 5zMtUl125WE |
|---|---|
| Name | bis(Phenylmethyl) pentanedioate |
| 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/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | PLZHJBTWPOYHHY-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)CCCC(=O)OCC=1C=CC=CC1 |