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4,4'-(ethane-1,1-diyl)bis(4,1-phenylene) bis(2,2,2-trifluoroacetate)
SpectraBase Compound ID 3bUjhWRGEPc
InChI InChI=1S/C18H12F6O4/c1-10(11-2-6-13(7-3-11)27-15(25)17(19,20)21)12-4-8-14(9-5-12)28-16(26)18(22,23)24/h2-10H,1H3
InChIKey GTXAHSZMNXWDDL-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C18H12F6O4
Exact Mass 406.063978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Woov5lUN6p
Name 4,4'-(ethane-1,1-diyl)bis(4,1-phenylene) bis(2,2,2-trifluoroacetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F6O4
InChI InChI=1S/C18H12F6O4/c1-10(11-2-6-13(7-3-11)27-15(25)17(19,20)21)12-4-8-14(9-5-12)28-16(26)18(22,23)24/h2-10H,1H3
InChIKey GTXAHSZMNXWDDL-UHFFFAOYSA-N
Instrument Name shimadzu QP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/rcm.8860
Molecular Weight 406.280 g/mol
SMILES c1cc(ccc1OC(C(F)(F)F)=O)C(c1ccc(cc1)OC(=O)C(F)(F)F)C
SPLASH splash10-00kf-5926100000-3743cc4564bfab2e242e
Source of Spectrum RCM-34-SM6-BPE di-TFA
Wiley ID 1840373