| SpectraBase Compound ID | Dq6UGbY8Xma |
|---|---|
| InChI | InChI=1S/C12H18F5NO4/c1-6(22-10(2,3)4)7(8(19)21-5)18-9(20)11(13,14)12(15,16)17/h6-7H,1-5H3,(H,18,20) |
| InChIKey | AUNAHLLZCFWWBU-UHFFFAOYSA-N |
| Mol Weight | 335.27 g/mol |
| Molecular Formula | C12H18F5NO4 |
| Exact Mass | 335.115599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMt58WaJsRP |
|---|---|
| Name | o-Tert.-butyl-L-threonine, N-pentafluoropropionyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.115598875 u |
| Formula | C12H18F5NO4 |
| InChI | InChI=1S/C12H18F5NO4/c1-6(22-10(2,3)4)7(8(19)21-5)18-9(20)11(13,14)12(15,16)17/h6-7H,1-5H3,(H,18,20) |
| InChIKey | AUNAHLLZCFWWBU-UHFFFAOYSA-N |
| Molecular Weight | 335.271 g/mol |
| SMILES | C(OC(C(C(OC)=O)NC(C(C(F)(F)F)(F)F)=O)C)(C)(C)C |