Tetra(pentafluorophenyl)ethane

SpectraBase Compound ID	8M5TIriA1E8
InChI	InChI=1S/C26H2F20/c27-6-2(7(28)15(36)22(43)14(6)35)1-26(3-8(29)16(37)23(44)17(38)9(3)30,4-10(31)18(39)24(45)19(40)11(4)32)5-12(33)20(41)25(46)21(42)13(5)34/h1H2
InChIKey	SHATUGGSQDENMR-UHFFFAOYSA-N Google Search
Mol Weight	694.27 g/mol
Molecular Formula	C26H2F20
Exact Mass	693.983713 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	C1ng0CXC2Se
Name	Tetra(pentafluorophenyl)ethane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	693.983713324 u
Formula	C26H2F20
InChI	InChI=1S/C26H2F20/c27-6-2(7(28)15(36)22(43)14(6)35)1-26(3-8(29)16(37)23(44)17(38)9(3)30,4-10(31)18(39)24(45)19(40)11(4)32)5-12(33)20(41)25(46)21(42)13(5)34/h1H2
InChIKey	SHATUGGSQDENMR-UHFFFAOYSA-N
Molecular Weight	694.270 g/mol
SMILES	C(C1=C(C(F)=C(C(=C1F)F)F)F)(C=1C(=C(F)C(=C(C1F)F)F)F)(C=1C(=C(F)C(=C(C1F)F)F)F)CC=1C(=C(F)C(=C(C1F)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.919628