| SpectraBase Compound ID | I7Pv2yPs4vh |
|---|---|
| InChI | InChI=1S/C11H16F3NO3/c1-4-5-8(9(16)18-6-7(2)3)15-10(17)11(12,13)14/h4,7-8H,1,5-6H2,2-3H3,(H,15,17) |
| InChIKey | URSVFPHHCQEBEE-UHFFFAOYSA-N |
| Mol Weight | 267.25 g/mol |
| Molecular Formula | C11H16F3NO3 |
| Exact Mass | 267.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | o6sDHmrKt3 |
|---|---|
| Name | D-Allylglycine, N-trifluoroacetyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.108227865 u |
| Formula | C11H16F3NO3 |
| InChI | InChI=1S/C11H16F3NO3/c1-4-5-8(9(16)18-6-7(2)3)15-10(17)11(12,13)14/h4,7-8H,1,5-6H2,2-3H3,(H,15,17) |
| InChIKey | URSVFPHHCQEBEE-UHFFFAOYSA-N |
| Molecular Weight | 267.248 g/mol |
| SMILES | CC(C)COC(C(CC=C)NC(C(F)(F)F)=O)=O |