| SpectraBase Compound ID | 94SMjfvvb0Y |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-13(2)9-8-12-20-15(18)10-7-11-16(19)21-14(3)17(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | CISSKLJFTYFBQN-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 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 | IMHr1V9vK5b |
|---|---|
| Name | Glutaric acid, 3,3-dimethylbut-2-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-13(2)9-8-12-20-15(18)10-7-11-16(19)21-14(3)17(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | CISSKLJFTYFBQN-UHFFFAOYSA-N |
| SMILES | CC(OC(CCCC(OCCCC(C)C)=O)=O)C(C)(C)C |