| SpectraBase Compound ID | Ku9r4v0T7ai |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-7-8-12-20-15(18)10-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3 |
| InChIKey | CEZSAOBHOYNNAX-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 | HMeJR8A83Sd |
|---|---|
| Name | Glutaric acid, 2,4-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/c1-6-7-8-12-20-15(18)10-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3 |
| InChIKey | CEZSAOBHOYNNAX-UHFFFAOYSA-N |
| SMILES | CC(C(OC(CCCC(OCCCCC)=O)=O)C(C)C)C |