| SpectraBase Compound ID | 2zEQHBtpXH5 |
|---|---|
| InChI | InChI=1S/C12H16F5NO3/c1-4-5-8(9(19)21-6-7(2)3)18-10(20)11(13,14)12(15,16)17/h4,7-8H,1,5-6H2,2-3H3,(H,18,20) |
| InChIKey | YBQIZHBWODBUNY-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 | Ab4LmU2PG1u |
|---|---|
| Name | L-Allylglycine, N-pentafluoropropionyl-, isobutyl 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/c1-4-5-8(9(19)21-6-7(2)3)18-10(20)11(13,14)12(15,16)17/h4,7-8H,1,5-6H2,2-3H3,(H,18,20) |
| InChIKey | YBQIZHBWODBUNY-UHFFFAOYSA-N |
| Molecular Weight | 317.256 g/mol |
| SMILES | CC(COC(C(NC(=O)C(C(F)(F)F)(F)F)CC=C)=O)C |