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4-Benzoyl-3',4'-dimethylbiphenyl-3-yl Trifluoromethanesulfonate
SpectraBase Compound ID JIkTgVpxxfm
InChI InChI=1S/C22H17F3O4S/c1-14-8-9-17(12-15(14)2)18-10-11-19(21(26)16-6-4-3-5-7-16)20(13-18)29-30(27,28)22(23,24)25/h3-13H,1-2H3
InChIKey QDALGFWEOHSONP-UHFFFAOYSA-N
Mol Weight 434.43 g/mol
Molecular Formula C22H17F3O4S
Exact Mass 434.079965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jmb0zkj677T
Name 4-Benzoyl-3',4'-dimethylbiphenyl-3-yl Trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F3O4S
InChI InChI=1S/C22H17F3O4S/c1-14-8-9-17(12-15(14)2)18-10-11-19(21(26)16-6-4-3-5-7-16)20(13-18)29-30(27,28)22(23,24)25/h3-13H,1-2H3
InChIKey QDALGFWEOHSONP-UHFFFAOYSA-N
Molecular Weight 434.429 g/mol
SMILES C(S(Oc1c(C(=O)c2ccccc2)ccc(c1)-c1cc(C)c(cc1)C)(=O)=O)(F)(F)F
SPLASH splash10-053r-0102900000-f7f7a10eecb84a43ee14
Source of Spectrum F4-44-230-12c
Wiley ID 1706766