| SpectraBase Spectrum ID |
HmXghENLUWZ |
| Name |
3-Methoxy-5-[(E)-1-methyl-2-{4-[(trifluoroacetyl)oxy]phenyl}ethenyl]phenyl trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.074542524 u |
| Formula |
C20H14F6O5 |
| InChI |
InChI=1S/C20H14F6O5/c1-11(7-12-3-5-14(6-4-12)30-17(27)19(21,22)23)13-8-15(29-2)10-16(9-13)31-18(28)20(24,25)26/h3-10H,1-2H3/b11-7+ |
| InChIKey |
CSCPHWACPBCCJF-YRNVUSSQSA-N |
| Molecular Weight |
448.317 g/mol |
| SMILES |
C1(=CC(=CC(=C1)\C(=C\C1=CC=C(C=C1)OC(C(F)(F)F)=O)C)OC)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969464 |
![3-Methoxy-5-[(E)-1-methyl-2-{4-[(trifluoroacetyl)oxy]phenyl}ethenyl]phenyl trifluoroacetate](/api/spectrum/HmXghENLUWZ/structure.png?h=300&w=458 "3-Methoxy-5-[(E)-1-methyl-2-{4-[(trifluoroacetyl)oxy]phenyl}ethenyl]phenyl trifluoroacetate")
