| SpectraBase Compound ID | HYGQyDpO4j |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-4-5-9-13-20-16(18)10-7-6-8-11-17(19)21-14-12-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | WFSGUAZFSUPTKI-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SE650bt1Jc |
|---|---|
| Name | Pimelic acid, pentyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-4-5-9-13-20-16(18)10-7-6-8-11-17(19)21-14-12-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | WFSGUAZFSUPTKI-UHFFFAOYSA-N |
| SMILES | C(OCCC(C)C)(=O)CCCCCC(OCCCCC)=O |