| SpectraBase Compound ID | 3YmnLLTrX7j |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-7-14(3)21-16(19)10-8-9-15(18)20-12-13(2)11-17(4,5)6/h1,13-14H,8-12H2,2-6H3 |
| InChIKey | OTXFIJQIHMEIMO-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 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 | JutnKyGtdn1 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-7-14(3)21-16(19)10-8-9-15(18)20-12-13(2)11-17(4,5)6/h1,13-14H,8-12H2,2-6H3 |
| InChIKey | OTXFIJQIHMEIMO-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCC(CC(C)(C)C)C)=O |