| SpectraBase Compound ID | 6Ojndt5RAS7 |
|---|---|
| InChI | InChI=1S/C16H20F3NO3/c1-4-11(2)13(14(21)23-3)20(15(22)16(17,18)19)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3 |
| InChIKey | AHLWIIBUROIQOG-UHFFFAOYSA-N |
| Mol Weight | 331.34 g/mol |
| Molecular Formula | C16H20F3NO3 |
| Exact Mass | 331.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FB9y7arPg2 |
|---|---|
| Name | L-Isoleucine, N-benzyl-N-trifluoroacetyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.139527994 u |
| Formula | C16H20F3NO3 |
| InChI | InChI=1S/C16H20F3NO3/c1-4-11(2)13(14(21)23-3)20(15(22)16(17,18)19)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3 |
| InChIKey | AHLWIIBUROIQOG-UHFFFAOYSA-N |
| Molecular Weight | 331.335 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(OC)=O)C(C)CC)C(C(F)(F)F)=O |