| SpectraBase Compound ID | Eq41Od7td17 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-8-11-16(7-3)14-21-17(19)12-9-13-18(20)22-15(4)10-6-2/h6,15-16H,2,5,7-14H2,1,3-4H3 |
| InChIKey | LVNQDAFPNOVQTB-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XwvFKZqd8P |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-8-11-16(7-3)14-21-17(19)12-9-13-18(20)22-15(4)10-6-2/h6,15-16H,2,5,7-14H2,1,3-4H3 |
| InChIKey | LVNQDAFPNOVQTB-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OC(C)CC=C)=O |