| SpectraBase Spectrum ID |
26LTU47wLOX |
| Name |
boc-3-Fluoro-D-phenylalanine, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.137636287 u |
| Formula |
C15H20FNO4 |
| InChI |
InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-6-5-7-11(16)8-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m1/s1 |
| InChIKey |
QRWBVKBLYFSPCK-GFCCVEGCSA-N |
| Molecular Weight |
297.326 g/mol |
| SMILES |
C([C@@](CC1=CC(=CC=C1)F)(NC(=O)OC(C)(C)C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91601 |
