| SpectraBase Compound ID | D0ypXNeXOtn |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-6-7-8-9-11-15(4)21-17(19)12-10-13-18(20)22-16(5)14(2)3/h9,11,14-16H,6-8,10,12-13H2,1-5H3/b11-9+ |
| InChIKey | BZAQHJVZGCTKGM-PKNBQFBNSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Hka9cH2mx8 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-6-7-8-9-11-15(4)21-17(19)12-10-13-18(20)22-16(5)14(2)3/h9,11,14-16H,6-8,10,12-13H2,1-5H3/b11-9+ |
| InChIKey | BZAQHJVZGCTKGM-PKNBQFBNSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(C)\C=C\CCCC)=O |