| SpectraBase Spectrum ID |
EysaH4rQHJA |
| Name |
Benzeneethanamine, 3-fluoro-N-trifluoroacetyl-4-hydroxy-.alpha.-methoxycarbonyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.062420486 u |
| Formula |
C12H11F4NO4 |
| InChI |
InChI=1S/C12H11F4NO4/c1-21-10(19)8(17-11(20)12(14,15)16)5-6-2-3-9(18)7(13)4-6/h2-4,8,18H,5H2,1H3,(H,17,20) |
| InChIKey |
IEPKVNYWVWPWNL-UHFFFAOYSA-N |
| Molecular Weight |
309.217 g/mol |
| SMILES |
C1=C(C=C(C(=C1)O)F)CC(NC(=O)C(F)(F)F)C(OC)=O |
