SpectraBase Spectrum ID |
9weiForSPRT |
Name |
Terephthalic acid, octyl 1-(pentafluorophenyl)ethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
472.167300096 u |
Formula |
C24H25F5O4 |
InChI |
InChI=1S/C24H25F5O4/c1-3-4-5-6-7-8-13-32-23(30)15-9-11-16(12-10-15)24(31)33-14(2)17-18(25)20(27)22(29)21(28)19(17)26/h9-12,14H,3-8,13H2,1-2H3 |
InChIKey |
GEFJOOGVFAZFQY-UHFFFAOYSA-N |
Molecular Weight |
472.452 g/mol |
SMILES |
C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C |