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3,4,5,6-tetrachloro-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepine
SpectraBase Compound ID SLXnRvBJhk
InChI InChI=1S/C13H11Cl4NO2S/c1-8-2-4-9(5-3-8)21(19,20)18-6-10(14)12(16)13(17)11(15)7-18/h2-5H,6-7H2,1H3
InChIKey SPSHIBXUTJLPKT-UHFFFAOYSA-N
Mol Weight 387.1 g/mol
Molecular Formula C13H11Cl4NO2S
Exact Mass 384.926461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu9vJuB3TdG
Name 3,4,5,6-tetrachloro-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11Cl4NO2S
InChI InChI=1S/C13H11Cl4NO2S/c1-8-2-4-9(5-3-8)21(19,20)18-6-10(14)12(16)13(17)11(15)7-18/h2-5H,6-7H2,1H3
InChIKey SPSHIBXUTJLPKT-UHFFFAOYSA-N
Molecular Weight 387.108 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC(=C(C(=C1Cl)Cl)Cl)Cl
SPLASH splash10-001l-7490000000-289bd58299df1c58bfe3
Source of Spectrum Y-39-1277-4
Synonyms 3,4,5,6-tetrachloro-1-(p-tolylsulfonyl)-2,7-dihydroazepine 3,4,5,6-tetrachloro-1-tosyl-2,7-dihydroazepine 3,4,5,6-tetrakis(chloranyl)-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepine
Wiley ID 1528727