| SpectraBase Compound ID | 84cMmuMRrrV |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-7-10-15(6-3)14-21-17(19)12-9-11-16(18)20-13-8-5-2/h5,8,15H,4,6-7,9-14H2,1-3H3/b8-5+ |
| InChIKey | COYMNUNRXAXHPK-VMPITWQZSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2KgL65095z |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-4-7-10-15(6-3)14-21-17(19)12-9-11-16(18)20-13-8-5-2/h5,8,15H,4,6-7,9-14H2,1-3H3/b8-5+ |
| InChIKey | COYMNUNRXAXHPK-VMPITWQZSA-N |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OC\C=C\C)=O |