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Piperazine, 1-[(4-cyclohexylphenyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 4d90UALBJgf
InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)19-8-11-21(22(16-19)29(30)31)27-12-14-28(15-13-27)34(32,33)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h6-11,16-17H,1-5,12-15H2
InChIKey XSDWDOIYVFCZAM-UHFFFAOYSA-N
Mol Weight 497.53 g/mol
Molecular Formula C23H26F3N3O4S
Exact Mass 497.159612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3WRquqvQ3N
Name Piperazine, 1-[(4-cyclohexylphenyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26F3N3O4S
InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)19-8-11-21(22(16-19)29(30)31)27-12-14-28(15-13-27)34(32,33)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h6-11,16-17H,1-5,12-15H2
InChIKey XSDWDOIYVFCZAM-UHFFFAOYSA-N
Molecular Weight 497.533 g/mol
SMILES C1CCC(c2ccc(S(N3CCN(c4c(N(=O)=O)cc(C(F)(F)F)cc4)CC3)(=O)=O)cc2)CC1
SPLASH splash10-0a4i-7970000000-2335a1834077dca1e47c
Source of Spectrum IY-1-4528-8
Wiley ID 1653271