| SpectraBase Compound ID | GxXD6rXDQxB |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-7-9-16(6-2)14-22-18(20)11-8-10-17(19)21-13-12-15(3)4/h12,16H,5-11,13-14H2,1-4H3 |
| InChIKey | MRUIUCLZAQEUJO-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8bTxAc2JmWk |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2-ethylhexyl 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/c1-5-7-9-16(6-2)14-22-18(20)11-8-10-17(19)21-13-12-15(3)4/h12,16H,5-11,13-14H2,1-4H3 |
| InChIKey | MRUIUCLZAQEUJO-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OCC(CC)CCCC)=O |