| SpectraBase Compound ID | 4AN5tISH97x |
|---|---|
| InChI | InChI=1S/C30H57F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-29(34)30(31,32)33/h2-28H2,1H3 |
| InChIKey | DBJWKKYWNRSCGQ-UHFFFAOYSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C30H57F3O2 |
| Exact Mass | 506.431066 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 | Go4IjMKxdQQ |
|---|---|
| Name | Octacosyl trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.431065562 u |
| Formula | C30H57F3O2 |
| InChI | InChI=1S/C30H57F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-29(34)30(31,32)33/h2-28H2,1H3 |
| InChIKey | DBJWKKYWNRSCGQ-UHFFFAOYSA-N |
| Molecular Weight | 506.779 g/mol |
| SMILES | C(C(F)(F)F)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O |