| SpectraBase Compound ID | 161WqH1W1XU |
|---|---|
| InChI | InChI=1S/C15H21F7O4/c1-2-3-4-5-9-25-11(23)7-6-8-12(24)26-10-13(16,17)14(18,19)15(20,21)22/h2-10H2,1H3 |
| InChIKey | OQUOBKHCBWZFFU-UHFFFAOYSA-N |
| Mol Weight | 398.32 g/mol |
| Molecular Formula | C15H21F7O4 |
| Exact Mass | 398.132806 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 | 4cvIKJ2E3bg |
|---|---|
| Name | Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.132806293 u |
| Formula | C15H21F7O4 |
| InChI | InChI=1S/C15H21F7O4/c1-2-3-4-5-9-25-11(23)7-6-8-12(24)26-10-13(16,17)14(18,19)15(20,21)22/h2-10H2,1H3 |
| InChIKey | OQUOBKHCBWZFFU-UHFFFAOYSA-N |
| Molecular Weight | 398.318 g/mol |
| SMILES | C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCCCCC)=O |