| SpectraBase Compound ID | IiQUgdDVcPn |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-7-9-10-15-22-18(20)13-11-14-19(21)23-16-17(6-3)12-8-5-2/h4,7,17H,5-6,8-16H2,1-3H3/b7-4+ |
| InChIKey | RBEBHLFOVGSTML-QPJJXVBHSA-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 | EgWJRafZv6M |
|---|---|
| Name | Glutaric acid, hex-4-en-1-yl 2-ethylhexyl 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/c1-4-7-9-10-15-22-18(20)13-11-14-19(21)23-16-17(6-3)12-8-5-2/h4,7,17H,5-6,8-16H2,1-3H3/b7-4+ |
| InChIKey | RBEBHLFOVGSTML-QPJJXVBHSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCCC\C=C\C)=O |