| SpectraBase Spectrum ID |
8vWU8HP5vJ2 |
| Name |
(R)-Tert.-butyl-2-fluoro-2-methyl-3-oxo-3-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.116172567 u |
| Formula |
C14H17FO3 |
| InChI |
InChI=1S/C14H17FO3/c1-13(2,3)18-12(17)14(4,15)11(16)10-8-6-5-7-9-10/h5-9H,1-4H3/t14-/m0/s1 |
| InChIKey |
PMMUAKZDPTUIBE-AWEZNQCLSA-N |
| Molecular Weight |
252.285 g/mol |
| SMILES |
C(=O)(C1=CC=CC=C1)[C@@](F)(C)C(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879858 |
