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[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-bis(trifluoromethyl)-, dimethyl ester
SpectraBase Compound ID 8bF1KHj92wA
InChI InChI=1S/C18H12F6O4/c1-27-15(25)9-5-3-7-11(17(19,20)21)13(9)14-10(16(26)28-2)6-4-8-12(14)18(22,23)24/h3-8H,1-2H3
InChIKey OVSYQPMEKMDKFZ-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 LCTfYa4Mhku
Name [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-bis(trifluoromethyl)-, dimethyl ester
CAS Registry Number 111398-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F6O4
InChI InChI=1S/C18H12F6O4/c1-27-15(25)9-5-3-7-11(17(19,20)21)13(9)14-10(16(26)28-2)6-4-8-12(14)18(22,23)24/h3-8H,1-2H3
InChIKey OVSYQPMEKMDKFZ-UHFFFAOYSA-N
Molecular Weight 406.280 g/mol
SMILES c1(-c2c(C(F)(F)F)cccc2C(=O)OC)c(C(F)(F)F)cccc1C(=O)OC
SPLASH splash10-056r-0129500000-cf84d1e4fc40557ca1d6
Source of Spectrum B-40-46-0
Synonyms Dimethyl 6,6'-bis(trifluoromethyl)-2,2'-diphenate Dimethyl 6,6'-bis(trifluoromethyl)[1,1'-biphenyl]-2,2'-dicarboxylate
Wiley ID 1371971