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1-(2,5-dichlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 7llw0HXmc1S
InChI InChI=1S/C17H17Cl2N3O4S/c1-12-2-4-14(22(23)24)11-17(12)27(25,26)21-8-6-20(7-9-21)16-10-13(18)3-5-15(16)19/h2-5,10-11H,6-9H2,1H3
InChIKey JTWMYISAEVAVMX-UHFFFAOYSA-N
Mol Weight 430.31 g/mol
Molecular Formula C17H17Cl2N3O4S
Exact Mass 429.031683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9d1BCBStnL0
Name 1-(2,5-dichlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2N3O4S
InChI InChI=1S/C17H17Cl2N3O4S/c1-12-2-4-14(22(23)24)11-17(12)27(25,26)21-8-6-20(7-9-21)16-10-13(18)3-5-15(16)19/h2-5,10-11H,6-9H2,1H3
InChIKey JTWMYISAEVAVMX-UHFFFAOYSA-N
Molecular Weight 430.306 g/mol
SMILES Cc1c(S(N2CCN(c3cc(ccc3Cl)Cl)CC2)(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-057i-6490000000-48ba6cf0505639a20f38
Synonyms 1-[2,5-bis(chloranyl)phenyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
Wiley ID 1444579