| SpectraBase Compound ID | EFgQ2yOK7lT |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-8-9-13-20-15(18)11-10-12-16(19)21-14(7-2)17(3,4)5/h14H,6-13H2,1-5H3 |
| InChIKey | XMTJNCSEKAWYCX-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 | FBg8yRKqiPn |
|---|---|
| Name | Glutaric acid, 2,2-dimethylpent-3-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/c1-6-8-9-13-20-15(18)11-10-12-16(19)21-14(7-2)17(3,4)5/h14H,6-13H2,1-5H3 |
| InChIKey | XMTJNCSEKAWYCX-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)CC)(=O)CCCC(OCCCCC)=O |