| SpectraBase Compound ID | GEgtZ5S5wI |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-2-3-10-17-24-20(22)15-8-5-9-16-21(23)25-18-11-14-19-12-6-4-7-13-19/h4,6-7,12-13H,2-3,5,8-11,14-18H2,1H3 |
| InChIKey | QVLPSNQDIURNQC-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqIjm0si2Ze |
|---|---|
| Name | Pimelic acid, pentyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-2-3-10-17-24-20(22)15-8-5-9-16-21(23)25-18-11-14-19-12-6-4-7-13-19/h4,6-7,12-13H,2-3,5,8-11,14-18H2,1H3 |
| InChIKey | QVLPSNQDIURNQC-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCC)=O |