| SpectraBase Compound ID | H9BdFkX0DMb |
|---|---|
| InChI | InChI=1S/C23H28O4/c24-22(26-18-16-20-10-4-1-5-11-20)14-8-3-9-15-23(25)27-19-17-21-12-6-2-7-13-21/h1-2,4-7,10-13H,3,8-9,14-19H2 |
| InChIKey | LSKMSPAJKQIPCN-UHFFFAOYSA-N |
| Mol Weight | 368.47 g/mol |
| Molecular Formula | C23H28O4 |
| Exact Mass | 368.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B46TvFjBDQJ |
|---|---|
| Name | Pimelic acid, di(phenethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.198759378 u |
| Formula | C23H28O4 |
| InChI | InChI=1S/C23H28O4/c24-22(26-18-16-20-10-4-1-5-11-20)14-8-3-9-15-23(25)27-19-17-21-12-6-2-7-13-21/h1-2,4-7,10-13H,3,8-9,14-19H2 |
| InChIKey | LSKMSPAJKQIPCN-UHFFFAOYSA-N |
| Molecular Weight | 368.473 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(=O)CCCCCC(OCCC1=CC=CC=C1)=O |