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1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
SpectraBase Compound ID Ea2cWFNrozv
InChI InChI=1S/C18H12F6N2O2S/c1-11-16(12-5-3-2-4-6-12)10-26(25-11)29(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-10H,1H3
InChIKey VDMGBTFBKZFKST-UHFFFAOYSA-N
Mol Weight 434.36 g/mol
Molecular Formula C18H12F6N2O2S
Exact Mass 434.052368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fPb2nACrR0
Name 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
Alternate Name(s) 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenyl-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F6N2O2S
InChI InChI=1S/C18H12F6N2O2S/c1-11-16(12-5-3-2-4-6-12)10-26(25-11)29(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-10H,1H3
InChIKey VDMGBTFBKZFKST-UHFFFAOYSA-N
Molecular Weight 434.356 g/mol
SMILES c1ccc(-c2c[n](S(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(=O)=O)nc2C)cc1
SPLASH splash10-0059-3900200000-b8df2d6c83b915d66e8e
Source of Spectrum AD-0-2532-0
Wiley ID 1430657