| SpectraBase Compound ID | LR5MTpLPcXs |
|---|---|
| InChI | InChI=1S/C20H43N.C2HF3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;3-2(4,5)1(6)7/h4-20H2,1-3H3;(H,6,7) |
| InChIKey | ZXHRATUIMMIPSY-UHFFFAOYSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C22H44F3NO2 |
| Exact Mass | 411.332414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQJie5qkSsp |
|---|---|
| Name | N,N-Dimethyloctadecylamine, trifluoroacetate(1:1)(salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.332414148 u |
| Formula | C22H44F3NO2 |
| InChI | InChI=1S/C20H43N.C2HF3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;3-2(4,5)1(6)7/h4-20H2,1-3H3;(H,6,7) |
| InChIKey | ZXHRATUIMMIPSY-UHFFFAOYSA-N |
| Molecular Weight | 411.594 g/mol |
| SMILES | C(F)(F)(F)C(O)=O.C(CCCCC)CCCCCCCCCCCCN(C)C |