| SpectraBase Compound ID | HpGl9msSwg7 |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-6-7-11-18-26-22(24)15-9-8-10-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | YEMOAPQHCXIQDQ-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KAcw56QBe5 |
|---|---|
| Name | Pimelic acid, 3,7-dimethyloctyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-5-6-7-11-18-26-22(24)15-9-8-10-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | YEMOAPQHCXIQDQ-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OCCCCCC)=O |