| SpectraBase Compound ID | 6D4Ux6mZGdn |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-14-20-16(18)12-10-8-6-7-9-11-13-17(19)21-15(3)5-2/h2,15H,4,6-14H2,1,3H3 |
| InChIKey | TVZBRIMJCAVTCJ-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 | E5uHnGazb4p |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl propyl 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/c1-4-14-20-16(18)12-10-8-6-7-9-11-13-17(19)21-15(3)5-2/h2,15H,4,6-14H2,1,3H3 |
| InChIKey | TVZBRIMJCAVTCJ-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCCCCC(=O)OC(C#C)C)CCC(OCCC)=O |