| SpectraBase Compound ID | EKmBjcTMdgs |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-2-9(8-6-4-3-5-7-8)19-10(18)11(13,14)12(15,16)17/h3-7,9H,2H2,1H3 |
| InChIKey | BCKHSJCQSLRGKS-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C12H11F5O2 |
| Exact Mass | 282.06792 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 | IG5Z2YLTQgD |
|---|---|
| Name | 1-Phenylpropyl pentafluoro propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.067920407 u |
| Formula | C12H11F5O2 |
| InChI | InChI=1S/C12H11F5O2/c1-2-9(8-6-4-3-5-7-8)19-10(18)11(13,14)12(15,16)17/h3-7,9H,2H2,1H3 |
| InChIKey | BCKHSJCQSLRGKS-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | C(C(F)(F)F)(C(OC(C1=CC=CC=C1)CC)=O)(F)F |