| SpectraBase Compound ID | 3qLpx1pR0LW |
|---|---|
| InChI | InChI=1S/C22H30F3NO3/c1-3-4-5-6-7-8-9-10-13-16-29-21(28)17(2)26-20(27)18-14-11-12-15-19(18)22(23,24)25/h3,11-12,14-15,17H,1,4-10,13,16H2,2H3,(H,26,27) |
| InChIKey | WOGIAXHXCLVJIH-UHFFFAOYSA-N |
| Mol Weight | 413.48 g/mol |
| Molecular Formula | C22H30F3NO3 |
| Exact Mass | 413.217778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kkB6TuxUTy |
|---|---|
| Name | L-Alanine, N-(2-trifluoromethylbenzoyl)-, undec-10-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.217778316 u |
| Formula | C22H30F3NO3 |
| InChI | InChI=1S/C22H30F3NO3/c1-3-4-5-6-7-8-9-10-13-16-29-21(28)17(2)26-20(27)18-14-11-12-15-19(18)22(23,24)25/h3,11-12,14-15,17H,1,4-10,13,16H2,2H3,(H,26,27) |
| InChIKey | WOGIAXHXCLVJIH-UHFFFAOYSA-N |
| Molecular Weight | 413.481 g/mol |
| SMILES | C1(=CC=CC=C1C(NC(C(OCCCCCCCCCC=C)=O)C)=O)C(F)(F)F |