| SpectraBase Spectrum ID |
DkFJe09YjQa |
| Name |
Ftorin, N-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.165742742 u |
| Formula |
C21H24F3NO4 |
| InChI |
InChI=1S/C21H24F3NO4/c1-6-28-19(26)16-12(3)25(5)13(4)17(20(27)29-7-2)18(16)14-10-8-9-11-15(14)21(22,23)24/h8-11,18H,6-7H2,1-5H3 |
| InChIKey |
UGVYVSWXHUNWQH-UHFFFAOYSA-N |
| Molecular Weight |
411.421 g/mol |
| SMILES |
C(F)(C1=C(C=CC=C1)C1C(=C(N(C(=C1C(=O)OCC)C)C)C)C(=O)OCC)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843399 |
