| SpectraBase Compound ID | 4aHEIx7UABf |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-2-15-22-18(20)13-7-4-8-14-19(21)23-16-9-12-17-10-5-3-6-11-17/h3,5-6,10-11H,2,4,7-9,12-16H2,1H3 |
| InChIKey | CAIBHFBKIJQJIE-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cfj3qJmftUB |
|---|---|
| Name | Pimelic acid, 3-phenylpropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-2-15-22-18(20)13-7-4-8-14-19(21)23-16-9-12-17-10-5-3-6-11-17/h3,5-6,10-11H,2,4,7-9,12-16H2,1H3 |
| InChIKey | CAIBHFBKIJQJIE-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCC)=O |