| SpectraBase Compound ID | 6DF3zSjjPE4 |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-3-4-8-22-14(21)10(2)19-13(20)11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20) |
| InChIKey | QQMZWBZCSCOPDC-UHFFFAOYSA-N |
| Mol Weight | 317.31 g/mol |
| Molecular Formula | C15H18F3NO3 |
| Exact Mass | 317.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FILu3YhPj1f |
|---|---|
| Name | L-Alanine, N-(3-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/c1-3-4-8-22-14(21)10(2)19-13(20)11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20) |
| InChIKey | QQMZWBZCSCOPDC-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C)C(OCCCC)=O)=O)C(F)(F)F |