| SpectraBase Compound ID | BfiW1bDzglt |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-6-8-11-15(3)21-17(19)13-10-12-16(18)20-14-9-7-5-2/h7,9,15H,4-6,8,10-14H2,1-3H3/b9-7+ |
| InChIKey | RBJBQIPARYCNJD-VQHVLOKHSA-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 | 4aZ1SYeB7lf |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl hept-2-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/c1-4-6-8-11-15(3)21-17(19)13-10-12-16(18)20-14-9-7-5-2/h7,9,15H,4-6,8,10-14H2,1-3H3/b9-7+ |
| InChIKey | RBJBQIPARYCNJD-VQHVLOKHSA-N |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC\C=C\CC)=O |