| SpectraBase Compound ID | Cm5z1wgHbWo |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-4-11-18-14(16)9-7-6-8-10-15(17)19-12-13(3)5-2/h13H,4-12H2,1-3H3 |
| InChIKey | UDNQFRXNMUZFCN-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSwTZhH2DK0 |
|---|---|
| Name | Pimelic acid, 2-methylbutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-4-11-18-14(16)9-7-6-8-10-15(17)19-12-13(3)5-2/h13H,4-12H2,1-3H3 |
| InChIKey | UDNQFRXNMUZFCN-UHFFFAOYSA-N |
| SMILES | C(OCC(C)CC)(=O)CCCCCC(OCCC)=O |