| SpectraBase Compound ID | LbkCHZIJ8bI |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-2-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14,16H,2-10,15H2,1H3 |
| InChIKey | FTRXKOQQOBPAQN-UHFFFAOYSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3otMNuhyeyf |
|---|---|
| Name | Pimelic acid, 4-formylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.193673997 u |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-2-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14,16H,2-10,15H2,1H3 |
| InChIKey | FTRXKOQQOBPAQN-UHFFFAOYSA-N |
| Molecular Weight | 348.439 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OCCCCCC)=O |