| SpectraBase Compound ID | JjuI2pjxxDi |
|---|---|
| InChI | InChI=1S/C10H16F3NO3/c1-4-6(3)7(8(15)17-5-2)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16) |
| InChIKey | ZQAMOQYNKAEEDM-UHFFFAOYSA-N |
| Mol Weight | 255.24 g/mol |
| Molecular Formula | C10H16F3NO3 |
| Exact Mass | 255.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChdTxmsY64V |
|---|---|
| Name | L-Isoleucine, N-trifluoroacetyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.108227865 u |
| Formula | C10H16F3NO3 |
| InChI | InChI=1S/C10H16F3NO3/c1-4-6(3)7(8(15)17-5-2)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16) |
| InChIKey | ZQAMOQYNKAEEDM-UHFFFAOYSA-N |
| Molecular Weight | 255.237 g/mol |
| SMILES | C(C(NC(C(F)(F)F)=O)C(OCC)=O)(C)CC |