| SpectraBase Compound ID | 8d1DDmWpwy1 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-9-11-15(17)19-13-7-5-2/h5,7,14H,4,6,8-13H2,1-3H3/b7-5+ |
| InChIKey | PJNZXAYVPOZHQT-FNORWQNLSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K59GwGcRzgi |
|---|---|
| Name | Glutaric acid, hept-2-yl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-9-11-15(17)19-13-7-5-2/h5,7,14H,4,6,8-13H2,1-3H3/b7-5+ |
| InChIKey | PJNZXAYVPOZHQT-FNORWQNLSA-N |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC\C=C\C)=O |