| SpectraBase Compound ID | HhkiN7EHELV |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-4-5-6-7-8-9-10-11-12-16-19-25-21(23)17-14-13-15-18-22(24)26-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | HXWMNMIFQLJEOP-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaW7X2NEKcC |
|---|---|
| Name | Pimelic acid, dodecyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-4-5-6-7-8-9-10-11-12-16-19-25-21(23)17-14-13-15-18-22(24)26-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | HXWMNMIFQLJEOP-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(OC(C)C)(=O)CCCCCC(OCCCCCCCCCCCC)=O |