| SpectraBase Compound ID | 4jVo2h59dDb |
|---|---|
| InChI | InChI=1S/C11H13F6NO5/c1-2-3-4-22-7(19)6(18-8(20)10(12,13)14)5-23-9(21)11(15,16)17/h6H,2-5H2,1H3,(H,18,20)/t6-/m0/s1 |
| InChIKey | ZEHWTIUXPNKBDN-LURJTMIESA-N |
| Mol Weight | 353.22 g/mol |
| Molecular Formula | C11H13F6NO5 |
| Exact Mass | 353.069791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcuVs55VOXQ |
|---|---|
| Name | N,o-di-tfa Serine N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.069791496 u |
| Formula | C11H13F6NO5 |
| InChI | InChI=1S/C11H13F6NO5/c1-2-3-4-22-7(19)6(18-8(20)10(12,13)14)5-23-9(21)11(15,16)17/h6H,2-5H2,1H3,(H,18,20)/t6-/m0/s1 |
| InChIKey | ZEHWTIUXPNKBDN-LURJTMIESA-N |
| Molecular Weight | 353.217 g/mol |
| SMILES | C(C(N[C@](C(=O)OCCCC)(COC(C(F)(F)F)=O)[H])=O)(F)(F)F |