SpectraBase Spectrum ID |
E3YHA54uzND |
Name |
Phloretin, tetra(trifluoroacetate) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
658.013319849 u |
Formula |
C23H10F12O9 |
InChI |
InChI=1S/C23H10F12O9/c24-20(25,26)16(37)41-10-4-1-9(2-5-10)3-6-12(36)15-13(43-18(39)22(30,31)32)7-11(42-17(38)21(27,28)29)8-14(15)44-19(40)23(33,34)35/h1-2,4-5,7-8H,3,6H2 |
InChIKey |
FMXLCAUEXHSLNU-UHFFFAOYSA-N |
Molecular Weight |
658.305 g/mol |
SMILES |
C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(=O)CCC1=CC=C(C=C1)OC(C(F)(F)F)=O |