| SpectraBase Compound ID | AP09ss8rYHa |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-4-5-6-7-8-12-15-22-18(20)13-10-9-11-14-19(21)23-16-17(2)3/h17H,4-16H2,1-3H3 |
| InChIKey | CQUBGQMLNDMXOQ-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4danJc6hybT |
|---|---|
| Name | Pimelic acid, 2-methylpropyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-4-5-6-7-8-12-15-22-18(20)13-10-9-11-14-19(21)23-16-17(2)3/h17H,4-16H2,1-3H3 |
| InChIKey | CQUBGQMLNDMXOQ-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCCCCC(OCC(C)C)=O)(OCCCCCCCC)=O |