| SpectraBase Compound ID | 9MfdUT1KdNK |
|---|---|
| InChI | InChI=1S/C29H55F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-28(33)29(30,31)32/h2-27H2,1H3 |
| InChIKey | VVPLBTYMPDZWEY-UHFFFAOYSA-N |
| Mol Weight | 492.8 g/mol |
| Molecular Formula | C29H55F3O2 |
| Exact Mass | 492.415415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhUzOvXfV9O |
|---|---|
| Name | Heptacosyl trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.415415498 u |
| Formula | C29H55F3O2 |
| InChI | InChI=1S/C29H55F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-28(33)29(30,31)32/h2-27H2,1H3 |
| InChIKey | VVPLBTYMPDZWEY-UHFFFAOYSA-N |
| Molecular Weight | 492.752 g/mol |
| SMILES | C(C(F)(F)F)(OCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O |