| SpectraBase Compound ID | JDlfGqtZqJy |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-13(10-11-20-15(3)18)8-7-9-14(2)12-21-16(19)17(4,5)6/h9-10H,7-8,11-12H2,1-6H3/b13-10+,14-9+ |
| InChIKey | CRQSSWQXTDCQCB-JUCMHCFKSA-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 | 78MXIibqkbI |
|---|---|
| Name | 8-Pivaloyloxygeranyl acetate |
| 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/c1-13(10-11-20-15(3)18)8-7-9-14(2)12-21-16(19)17(4,5)6/h9-10H,7-8,11-12H2,1-6H3/b13-10+,14-9+ |
| InChIKey | CRQSSWQXTDCQCB-JUCMHCFKSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(C(C)(C)C)(OC\C(=C\CC\C(=C\COC(=O)C)C)C)=O |