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1-[(4-Bromophenyl)sulfonyl]-4-(N-phenylphenylsulfonimidoyl)piperazine
SpectraBase Compound ID 3mMlPKYdy9o
InChI InChI=1S/C22H22BrN3O3S2/c23-19-11-13-22(14-12-19)31(28,29)26-17-15-25(16-18-26)30(27,21-9-5-2-6-10-21)24-20-7-3-1-4-8-20/h1-14H,15-18H2
InChIKey DHCNFGQDHRYXCG-UHFFFAOYSA-N
Mol Weight 520.46 g/mol
Molecular Formula C22H22BrN3O3S2
Exact Mass 519.028597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L4tu68KeW
Name 1-[(4-Bromophenyl)sulfonyl]-4-(N-phenylphenylsulfonimidoyl)piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.028596925 u
Formula C22H22BrN3O3S2
InChI InChI=1S/C22H22BrN3O3S2/c23-19-11-13-22(14-12-19)31(28,29)26-17-15-25(16-18-26)30(27,21-9-5-2-6-10-21)24-20-7-3-1-4-8-20/h1-14H,15-18H2
InChIKey DHCNFGQDHRYXCG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810548
Molecular Weight 520.460 g/mol
Quality 40
Reported Formula C22H22BrN3O3S2
SMILES C1(S(N2CCN(CC2)S(C2=CC=C(C=C2)Br)(=O)=O)(=NC2=CC=CC=C2)=O)=CC=CC=C1
SPLASH splash10-0gb9-0917010000-3243b28abf2d3c4937c0
Source of Spectrum ACI-57-SM16-8aj (DOI: 10.1002/anie.201810548)
Thin-Layer Chromatography 0.45 (pentane/EtOAc, 2:1)
Wiley ID 1893599