| SpectraBase Compound ID | Y8k3wQQia2 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-6-8-9-10-12-16(5)22-18(20)13-11-14-19(21)23-17(7-2)15(3)4/h10,12,15-17H,6-9,11,13-14H2,1-5H3/b12-10+ |
| InChIKey | ROXDACKKEZWZEK-ZRDIBKRKSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jnxKnOh6Jl |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-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 | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-6-8-9-10-12-16(5)22-18(20)13-11-14-19(21)23-17(7-2)15(3)4/h10,12,15-17H,6-9,11,13-14H2,1-5H3/b12-10+ |
| InChIKey | ROXDACKKEZWZEK-ZRDIBKRKSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC(C)\C=C\CCCC)=O |