| SpectraBase Compound ID | 7bN4U0OllnM |
|---|---|
| InChI | InChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)5(15)16-2-1-4(14)3-13/h4,13-14H,1-3H2 |
| InChIKey | UJRHXTYAFYZOBS-UHFFFAOYSA-N |
| Mol Weight | 252.14 g/mol |
| Molecular Formula | C7H9F5O4 |
| Exact Mass | 252.0421 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 | IGXWbZuvEG7 |
|---|---|
| Name | (S)-(-)-1,2,4-butanetriol, 4-pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.042099581 u |
| Formula | C7H9F5O4 |
| InChI | InChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)5(15)16-2-1-4(14)3-13/h4,13-14H,1-3H2 |
| InChIKey | UJRHXTYAFYZOBS-UHFFFAOYSA-N |
| Molecular Weight | 252.137 g/mol |
| SMILES | C(O)C(CCOC(C(C(F)(F)F)(F)F)=O)O |