| SpectraBase Compound ID | ERnlwh5efKs |
|---|---|
| InChI | InChI=1S/C12H15F6NO5/c1-3-4-5-23-8(20)7(19-9(21)11(13,14)15)6(2)24-10(22)12(16,17)18/h6-7H,3-5H2,1-2H3,(H,19,21) |
| InChIKey | JEBRDXUGVDXRFW-UHFFFAOYSA-N |
| Mol Weight | 367.24 g/mol |
| Molecular Formula | C12H15F6NO5 |
| Exact Mass | 367.085442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvJaTesynrW |
|---|---|
| Name | Threonine, N,o-di(trifluoroacetyl)-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.085441560 u |
| Formula | C12H15F6NO5 |
| InChI | InChI=1S/C12H15F6NO5/c1-3-4-5-23-8(20)7(19-9(21)11(13,14)15)6(2)24-10(22)12(16,17)18/h6-7H,3-5H2,1-2H3,(H,19,21) |
| InChIKey | JEBRDXUGVDXRFW-UHFFFAOYSA-N |
| Molecular Weight | 367.244 g/mol |
| SMILES | C(C(OC(C(NC(C(F)(F)F)=O)C(OCCCC)=O)C)=O)(F)(F)F |