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1H-Indole, 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
SpectraBase Compound ID HR0310Dh24Z
InChI InChI=1S/C22H16FN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-9,11-13H,10H2,1H3
InChIKey PTFQQBWUVLKUEH-UHFFFAOYSA-N
Mol Weight 469.44 g/mol
Molecular Formula C22H16FN3O6S
Exact Mass 469.074385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GntTUWjMbLk
Name 1H-Indole, 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16FN3O6S
InChI InChI=1S/C22H16FN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-9,11-13H,10H2,1H3
InChIKey PTFQQBWUVLKUEH-UHFFFAOYSA-N
Molecular Weight 469.443 g/mol
SMILES Cc1ccc(S([n]2c3c(c(N(=O)=O)cc(N(=O)=O)c3)c(c2)Cc2ccc(cc2)F)(=O)=O)cc1
SPLASH splash10-0006-9752100000-4565cfa649c8c2129306
Source of Spectrum IY-1-4603-2
Synonyms 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitroindole 3-[(4-fluorophenyl)methyl]-4,6-dinitro-1-(p-tolylsulfonyl)indole 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-indole
Wiley ID 1654015