| SpectraBase Compound ID | 2ebtKP6z0DM |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-3-4-9-22-14(21)10(2)19-13(20)11-5-7-12(8-6-11)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20) |
| InChIKey | SBRSONHASQIALO-UHFFFAOYSA-N |
| Mol Weight | 317.31 g/mol |
| Molecular Formula | C15H18F3NO3 |
| Exact Mass | 317.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIqCyjdv6SX |
|---|---|
| Name | L-Alanine, N-(4-trifluoromethylbenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.123877930 u |
| Formula | C15H18F3NO3 |
| InChI | InChI=1S/C15H18F3NO3/c1-3-4-9-22-14(21)10(2)19-13(20)11-5-7-12(8-6-11)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20) |
| InChIKey | SBRSONHASQIALO-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C)C(=O)OCCCC)=O)C(F)(F)F |