| SpectraBase Compound ID | 84G0u7tArgn |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-6-7-8-9-10-11-15-18-27-22(25)16-13-12-14-17-23(26)28-20-21(2)19-24(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | DPDORJFMZLOSOM-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WR1WiwQsRL |
|---|---|
| Name | Pimelic acid, nonyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-6-7-8-9-10-11-15-18-27-22(25)16-13-12-14-17-23(26)28-20-21(2)19-24(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | DPDORJFMZLOSOM-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCCCC)=O |