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3H-Indole, 3-[(2-chlorophenyl)methylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
SpectraBase Compound ID 1i1mwF1VHNc
InChI InChI=1S/C22H16ClN3O6S/c1-14-6-8-18(9-7-14)33(31,32)24-13-16(10-15-4-2-3-5-19(15)23)22-20(24)11-17(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-10+
InChIKey YXEUIPRTEZLRRH-MHWRWJLKSA-N
Mol Weight 485.9 g/mol
Molecular Formula C22H16ClN3O6S
Exact Mass 485.044834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1NTopaXyQp
Name 3H-Indole, 3-[(2-chlorophenyl)methylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClN3O6S
InChI InChI=1S/C22H16ClN3O6S/c1-14-6-8-18(9-7-14)33(31,32)24-13-16(10-15-4-2-3-5-19(15)23)22-20(24)11-17(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-10+
InChIKey YXEUIPRTEZLRRH-MHWRWJLKSA-N
Molecular Weight 485.898 g/mol
SMILES c1(c2c(cc(c1)N(=O)=O)N(C\C2=C\c1c(cccc1)Cl)S(=O)(=O)c1ccc(cc1)C)N(=O)=O
SPLASH splash10-0f8l-5985200000-a7b7bba768f4e5550da1
Source of Spectrum IY-1-4522-5
Synonyms (3Z)-3-[(2-chlorophenyl)methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline (3Z)-3-[(2-chlorophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole
Wiley ID 1653208