| SpectraBase Compound ID | 5SmtEMZxLYa |
|---|---|
| InChI | InChI=1S/C22H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-20(27)19-26-21(28)22(23,24)25/h2-19H2,1H3,(H,26,28) |
| InChIKey | CDBHNQMXMBYVAN-UHFFFAOYSA-N |
| Mol Weight | 423.6 g/mol |
| Molecular Formula | C22H40F3NO3 |
| Exact Mass | 423.296029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ay7lUq4QNOa |
|---|---|
| Name | Glycine, N-trifluoroacetyl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.296028638 u |
| Formula | C22H40F3NO3 |
| InChI | InChI=1S/C22H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-20(27)19-26-21(28)22(23,24)25/h2-19H2,1H3,(H,26,28) |
| InChIKey | CDBHNQMXMBYVAN-UHFFFAOYSA-N |
| Molecular Weight | 423.561 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOC(CNC(C(F)(F)F)=O)=O |