| SpectraBase Compound ID | 5tjhPEwQ61i |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-6-13-20-27-23(25)18-11-8-12-19-24(26)28-21-14-17-22-15-9-7-10-16-22/h7,9-10,15-16H,2-6,8,11-14,17-21H2,1H3 |
| InChIKey | JRNQFTSDHMPGQH-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItpqdGfW2gt |
|---|---|
| Name | Pimelic acid, octyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-6-13-20-27-23(25)18-11-8-12-19-24(26)28-21-14-17-22-15-9-7-10-16-22/h7,9-10,15-16H,2-6,8,11-14,17-21H2,1H3 |
| InChIKey | JRNQFTSDHMPGQH-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCC)=O |