| SpectraBase Compound ID | JCgSYG69F7v |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h5-8H,3-4,9-16H2,1-2H3/b7-5+,8-6+ |
| InChIKey | GFIBZYMYJRJLBF-KQQUZDAGSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhezEgoqlC1 |
|---|---|
| Name | Adipic acid, di(trans-hex-3-enyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h5-8H,3-4,9-16H2,1-2H3/b7-5+,8-6+ |
| InChIKey | GFIBZYMYJRJLBF-KQQUZDAGSA-N |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCC\C=C\CC)=O |