| SpectraBase Compound ID | 2RSeheaxE8s |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-5-6-10-14-23-18(20)11-8-7-9-12-19(21)24-17(3)16(2)13-15-22-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | MVHMWLAPHOTQIW-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E65raEaETe9 |
|---|---|
| Name | Pimelic acid, 5-methoxy-3-methylpent-2-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-5-6-10-14-23-18(20)11-8-7-9-12-19(21)24-17(3)16(2)13-15-22-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | MVHMWLAPHOTQIW-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCC)=O |