| SpectraBase Compound ID | 4ESUktyMCly |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-6-7-13-20-16(18)9-8-10-17(19)21-15(4)12-11-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | PVTPJRWQBAIEAD-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 | 7aDCUft842b |
|---|---|
| Name | Glutaric acid, 5-methylhex-2-yl pentyl 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/c1-5-6-7-13-20-16(18)9-8-10-17(19)21-15(4)12-11-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | PVTPJRWQBAIEAD-UHFFFAOYSA-N |
| SMILES | C(OC(CCC(C)C)C)(=O)CCCC(OCCCCC)=O |