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Dimethyl 3,4,5,6-Tetrakis[4-(trifluoromethyl)phenyl]benzene-1,2-dicarboxylate
SpectraBase Compound ID 6Rcre0tGNHe
InChI InChI=1S/C38H22F12O4/c1-53-33(51)31-29(21-7-15-25(16-8-21)37(45,46)47)27(19-3-11-23(12-4-19)35(39,40)41)28(20-5-13-24(14-6-20)36(42,43)44)30(32(31)34(52)54-2)22-9-17-26(18-10-22)38(48,49)50/h3-18H,1-2H3
InChIKey BLIXOEXCKZRXDM-UHFFFAOYSA-N
Mol Weight 770.6 g/mol
Molecular Formula C38H22F12O4
Exact Mass 770.132647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQSMO1qtp1G
Name Dimethyl 3,4,5,6-Tetrakis[4-(trifluoromethyl)phenyl]benzene-1,2-dicarboxylate
Alternate Name(s) Dimethyl 4,4''-bis(trifluoromethyl)-5',6'-bis(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H22F12O4
InChI InChI=1S/C38H22F12O4/c1-53-33(51)31-29(21-7-15-25(16-8-21)37(45,46)47)27(19-3-11-23(12-4-19)35(39,40)41)28(20-5-13-24(14-6-20)36(42,43)44)30(32(31)34(52)54-2)22-9-17-26(18-10-22)38(48,49)50/h3-18H,1-2H3
InChIKey BLIXOEXCKZRXDM-UHFFFAOYSA-N
Molecular Weight 770.571 g/mol
SMILES c1(C(OC)=O)c(C(=O)OC)c(-c2ccc(cc2)C(F)(F)F)c(-c2ccc(cc2)C(F)(F)F)c(-c2ccc(cc2)C(F)(F)F)c1-c1ccc(cc1)C(F)(F)F
SPLASH splash10-00dr-0000000900-e8caa44458f207b9ad04
Source of Spectrum H-96-412-5i
Wiley ID 1784687