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1-[(4-Bromophenyl)sulfonyl]-2,4-dinitrobenzene
SpectraBase Compound ID 5tBsw5I1zrK
InChI InChI=1S/C12H7BrN2O6S/c13-8-1-4-10(5-2-8)22(20,21)12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey YBCWTMMIIQDJTC-UHFFFAOYSA-N
Mol Weight 387.16 g/mol
Molecular Formula C12H7BrN2O6S
Exact Mass 385.92082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdxWJZLzD9S
Name 1-[(4-Bromophenyl)sulfonyl]-2,4-dinitrobenzene
CAS Registry Number 75317-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7BrN2O6S
InChI InChI=1S/C12H7BrN2O6S/c13-8-1-4-10(5-2-8)22(20,21)12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey YBCWTMMIIQDJTC-UHFFFAOYSA-N
Molecular Weight 387.160 g/mol
SMILES c1cc(ccc1S(c1ccc(cc1N(=O)=O)N(=O)=O)(=O)=O)Br
SPLASH splash10-00di-1901000000-3c28482ca3b83a4d29e1
Source of Spectrum W5-1989-13290-1
Synonyms 1-Brosyl-2,4-dinitro-benzene 2,4-Dinitro-4'-bromodiphenylsulfone 1-(4-bromophenyl)sulfonyl-2,4-dinitrobenzene
Wiley ID 1362390