| SpectraBase Compound ID | 90hdxUSe4b5 |
|---|---|
| InChI | InChI=1S/C12H16F5NO3/c1-3-5-7-21-9(19)8(6-4-2)18-10(20)11(13,14)12(15,16)17/h4,8H,2-3,5-7H2,1H3,(H,18,20) |
| InChIKey | QBMZOISGXRPUAZ-UHFFFAOYSA-N |
| Mol Weight | 317.26 g/mol |
| Molecular Formula | C12H16F5NO3 |
| Exact Mass | 317.105034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3dI6nACE3l |
|---|---|
| Name | D-Allylglycine, N-pentafluoropropionyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.105034191 u |
| Formula | C12H16F5NO3 |
| InChI | InChI=1S/C12H16F5NO3/c1-3-5-7-21-9(19)8(6-4-2)18-10(20)11(13,14)12(15,16)17/h4,8H,2-3,5-7H2,1H3,(H,18,20) |
| InChIKey | QBMZOISGXRPUAZ-UHFFFAOYSA-N |
| Molecular Weight | 317.256 g/mol |
| SMILES | C(C(NC(C(OCCCC)=O)CC=C)=O)(C(F)(F)F)(F)F |