SpectraBase Spectrum ID |
J9IR50ySJjs |
Name |
Isophthalic acid, di(pentafluorobenzyl) ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
526.026290364 u |
Formula |
C22H8F10O4 |
InChI |
InChI=1S/C22H8F10O4/c23-11-9(12(24)16(28)19(31)15(11)27)5-35-21(33)7-2-1-3-8(4-7)22(34)36-6-10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2 |
InChIKey |
KCNITRSOMNWVTA-UHFFFAOYSA-N |
Molecular Weight |
526.286 g/mol |
SMILES |
C1(=C(C(=C(C(=C1F)F)COC(C=1C=C(C(OCC=2C(=C(C(=C(F)C2F)F)F)F)=O)C=CC1)=O)F)F)F |