| SpectraBase Compound ID | 6MY1w7Qx9OK |
|---|---|
| InChI | InChI=1S/C11H18F3NO3/c1-4-5-6-7(2)18-9(16)8(3)15-10(17)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17) |
| InChIKey | RCRQPRSISASZCE-UHFFFAOYSA-N |
| Mol Weight | 269.26 g/mol |
| Molecular Formula | C11H18F3NO3 |
| Exact Mass | 269.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuCiii2KP8q |
|---|---|
| Name | L-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.123877930 u |
| Formula | C11H18F3NO3 |
| InChI | InChI=1S/C11H18F3NO3/c1-4-5-6-7(2)18-9(16)8(3)15-10(17)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17) |
| InChIKey | RCRQPRSISASZCE-UHFFFAOYSA-N |
| Molecular Weight | 269.264 g/mol |
| SMILES | [C@](NC(C(F)(F)F)=O)(C(OC(CCCC)C)=O)(C)[H] |