| SpectraBase Spectrum ID |
A8KRjo0UR24 |
| Name |
(+/-)-methyl-N-benzoyl-alpha-(E)-(2'-fluoro-2'-benzenesulfonyl)-vinylphenylalaninate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.120272144 u |
| Formula |
C25H22FNO5S |
| InChI |
InChI=1S/C25H22FNO5S/c1-32-24(29)25(17-19-11-5-2-6-12-19,27-23(28)20-13-7-3-8-14-20)18-22(26)33(30,31)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3,(H,27,28)/b22-18+/t25-/m0/s1 |
| InChIKey |
JDPWPUYEQQIBRH-CBPAOYKXSA-N |
| Molecular Weight |
467.511 g/mol |
| SMILES |
COC(=O)[C@](\C=C/(F)S(=O)(=O)C1=CC=CC=C1)(NC(=O)C1=CC=CC=C1)CC1=CC=CC=C1 |
