| SpectraBase Compound ID | 26116y3I5Kt |
|---|---|
| InChI | InChI=1S/C13H17F5O4/c1-9(2)6-7-21-10(19)4-3-5-11(20)22-8-12(14,15)13(16,17)18/h6H,3-5,7-8H2,1-2H3 |
| InChIKey | TWWRGRNGTRAHLJ-UHFFFAOYSA-N |
| Mol Weight | 332.27 g/mol |
| Molecular Formula | C13H17F5O4 |
| Exact Mass | 332.1047 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 | 3Kl2gFc8PZf |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.104699838 u |
| Formula | C13H17F5O4 |
| InChI | InChI=1S/C13H17F5O4/c1-9(2)6-7-21-10(19)4-3-5-11(20)22-8-12(14,15)13(16,17)18/h6H,3-5,7-8H2,1-2H3 |
| InChIKey | TWWRGRNGTRAHLJ-UHFFFAOYSA-N |
| Molecular Weight | 332.267 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OCC(C(F)(F)F)(F)F)=O |