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Methyl 4'-chloro-4-[2-(trifluoromethanesulfonyloxy)benzoyl]biphenyl-2-carboxylate
SpectraBase Compound ID JY6IrwlDb0M
InChI InChI=1S/C22H14ClF3O6S/c1-31-21(28)18-12-14(8-11-16(18)13-6-9-15(23)10-7-13)20(27)17-4-2-3-5-19(17)32-33(29,30)22(24,25)26/h2-12H,1H3
InChIKey XHTAYTQPYFLCGF-UHFFFAOYSA-N
Mol Weight 498.86 g/mol
Molecular Formula C22H14ClF3O6S
Exact Mass 498.015172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSR6BpuklRi
Name Methyl 4'-chloro-4-[2-(trifluoromethanesulfonyloxy)benzoyl]biphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClF3O6S
InChI InChI=1S/C22H14ClF3O6S/c1-31-21(28)18-12-14(8-11-16(18)13-6-9-15(23)10-7-13)20(27)17-4-2-3-5-19(17)32-33(29,30)22(24,25)26/h2-12H,1H3
InChIKey XHTAYTQPYFLCGF-UHFFFAOYSA-N
Molecular Weight 498.856 g/mol
SMILES C(S(Oc1c(C(c2cc(C(=O)OC)c(cc2)-c2ccc(cc2)Cl)=O)cccc1)(=O)=O)(F)(F)F
SPLASH splash10-0002-0022920000-942ace0a88eb746019f5
Source of Spectrum U1-2011-6678-6b
Wiley ID 1702855