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4,4'-(propane-2,2-diyl)bis(2-methyl-4,1-phenylene) bis(2,2,2-trifluoroacetate)
SpectraBase Compound ID 8hB3e9cCfHa
InChI InChI=1S/C21H18F6O4/c1-11-9-13(5-7-15(11)30-17(28)20(22,23)24)19(3,4)14-6-8-16(12(2)10-14)31-18(29)21(25,26)27/h5-10H,1-4H3
InChIKey HPHWIIFJJXSWNT-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C21H18F6O4
Exact Mass 448.110928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrmQn2WTSJJ
Name 4,4'-(propane-2,2-diyl)bis(2-methyl-4,1-phenylene) bis(2,2,2-trifluoroacetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F6O4
InChI InChI=1S/C21H18F6O4/c1-11-9-13(5-7-15(11)30-17(28)20(22,23)24)19(3,4)14-6-8-16(12(2)10-14)31-18(29)21(25,26)27/h5-10H,1-4H3
InChIKey HPHWIIFJJXSWNT-UHFFFAOYSA-N
Instrument Name shimadzu QP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/rcm.8860
Molecular Weight 448.361 g/mol
SMILES c1(cc(ccc1OC(C(F)(F)F)=O)C(c1ccc(c(c1)C)OC(=O)C(F)(F)F)(C)C)C
SPLASH splash10-001i-2420900000-5e54c24b83006ddbcddb
Source of Spectrum RCM-34-SM7-BPC di-TFA
Wiley ID 1840372