| SpectraBase Compound ID | 3u0Xm5M1bM2 |
|---|---|
| InChI | InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19(30)20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3 |
| InChIKey | ABJHYFXBHBSPMK-UHFFFAOYSA-N |
| Mol Weight | 466.5 g/mol |
| Molecular Formula | C22H37F7O2 |
| Exact Mass | 466.268178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvzXP36m4KC |
|---|---|
| Name | Heptafluorobutyric acid, N-octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 466.268177570 u |
| Formula | C22H37F7O2 |
| InChI | InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19(30)20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3 |
| InChIKey | ABJHYFXBHBSPMK-UHFFFAOYSA-N |
| Molecular Weight | 466.525 g/mol |
| SMILES | C(C(C(C(=O)OCCCCCCCCCCCCCCCCCC)(F)F)(F)F)(F)(F)F |