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3H-Indole, 3-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
SpectraBase Compound ID KcZKKq75MIW
InChI InChI=1S/C25H23N3O8S/c1-4-36-23-10-7-17(12-24(23)35-3)11-18-15-26(37(33,34)20-8-5-16(2)6-9-20)21-13-19(27(29)30)14-22(25(18)21)28(31)32/h5-14H,4,15H2,1-3H3/b18-11+
InChIKey IKXIFHRFGBTKLG-WOJGMQOQSA-N
Mol Weight 525.53 g/mol
Molecular Formula C25H23N3O8S
Exact Mass 525.120586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7AL1EqASSw
Name 3H-Indole, 3-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O8S
InChI InChI=1S/C25H23N3O8S/c1-4-36-23-10-7-17(12-24(23)35-3)11-18-15-26(37(33,34)20-8-5-16(2)6-9-20)21-13-19(27(29)30)14-22(25(18)21)28(31)32/h5-14H,4,15H2,1-3H3/b18-11+
InChIKey IKXIFHRFGBTKLG-WOJGMQOQSA-N
Molecular Weight 525.532 g/mol
SMILES c12c(cc(cc2N(=O)=O)N(=O)=O)N(C\C1=C\c1ccc(c(c1)OC)OCC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9200000000-c414388be71d1057c21d
Source of Spectrum IY-1-4497-6
Synonyms (3Z)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole (3Z)-3-[(4-ethoxy-3-methoxy-phenyl)methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline (3Z)-3-[(4-ethoxy-3-methoxy-phenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole
Wiley ID 1652959