| SpectraBase Compound ID | J9nWgPGT4Ut |
|---|---|
| InChI | InChI=1S/C18H15F5O2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)25-15(24)17(19,20)18(21,22)23/h3-11H,1-2H3 |
| InChIKey | ITXDFFXXNOQWLQ-UHFFFAOYSA-N |
| Mol Weight | 358.31 g/mol |
| Molecular Formula | C18H15F5O2 |
| Exact Mass | 358.099221 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 | GB9OpTqk52L |
|---|---|
| Name | 4-Cumylphenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.099220536 u |
| Formula | C18H15F5O2 |
| InChI | InChI=1S/C18H15F5O2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)25-15(24)17(19,20)18(21,22)23/h3-11H,1-2H3 |
| InChIKey | ITXDFFXXNOQWLQ-UHFFFAOYSA-N |
| Molecular Weight | 358.308 g/mol |
| SMILES | C1(OC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)C(C)(C)C1=CC=CC=C1 |