| SpectraBase Compound ID | KLem2fgUiqG |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-3-5-7-9-10-12-17-23-19(21)15-13-14-18(20)22-16-11-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6- |
| InChIKey | VLDUJUMKVCRXMY-VURMDHGXSA-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 | 6AtlTWkgDSi |
|---|---|
| Name | Glutaric acid, cis-hex-3-enyl octyl 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/c1-3-5-7-9-10-12-17-23-19(21)15-13-14-18(20)22-16-11-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6- |
| InChIKey | VLDUJUMKVCRXMY-VURMDHGXSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OCC\C=C/CC)=O)=O |