| SpectraBase Compound ID | AxjyHnP2nuc |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-9-15(13(4)5)21-17(19)11-8-10-16(18)20-14(6)12(2)3/h12-15H,7-11H2,1-6H3 |
| InChIKey | WKEYDMCDQXUSLE-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 | L2ORawa6Igq |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-methylhex-3-yl 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/c1-7-9-15(13(4)5)21-17(19)11-8-10-16(18)20-14(6)12(2)3/h12-15H,7-11H2,1-6H3 |
| InChIKey | WKEYDMCDQXUSLE-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(C(C)C)CCC)=O |