| SpectraBase Compound ID | E1vq7mbS7vi |
|---|---|
| InChI | InChI=1S/C29H53F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-27(35)28(30,31)29(32,33)34/h2-26H2,1H3 |
| InChIKey | PAKFICMSOWIPAA-UHFFFAOYSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C29H53F5O2 |
| Exact Mass | 528.396572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3j4rBo59Xy1 |
|---|---|
| Name | Hexacosyl pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.396571760 u |
| Formula | C29H53F5O2 |
| InChI | InChI=1S/C29H53F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-27(35)28(30,31)29(32,33)34/h2-26H2,1H3 |
| InChIKey | PAKFICMSOWIPAA-UHFFFAOYSA-N |
| Molecular Weight | 528.733 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F |