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3-Amino-5-nitro-1-(p-tosyl)indole-2-carbonitrile
SpectraBase Compound ID HV6XYlJoHr2
InChI InChI=1S/C16H12N4O4S/c1-10-2-5-12(6-3-10)25(23,24)19-14-7-4-11(20(21)22)8-13(14)16(18)15(19)9-17/h2-8H,18H2,1H3
InChIKey TWHJRAPJVLSSBG-UHFFFAOYSA-N
Mol Weight 356.36 g/mol
Molecular Formula C16H12N4O4S
Exact Mass 356.057926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8LFmidiRDB
Name 3-Amino-5-nitro-1-(p-tosyl)indole-2-carbonitrile
Alternate Name(s) 3-Amino-1-(4-methylphenyl)sulfonyl-5-nitro-2-indolecarbonitrile 3-Amino-1-(4-methylphenyl)sulfonyl-5-nitroindole-2-carbonitrile 3-Amino-5-nitro-1-(p-tolylsulfonyl)indole-2-carbonitrile 3-Azanyl-1-(4-methylphenyl)sulfonyl-5-nitro-indole-2-carbonitrile
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Formula C16H12N4O4S
InChI InChI=1S/C16H12N4O4S/c1-10-2-5-12(6-3-10)25(23,24)19-14-7-4-11(20(21)22)8-13(14)16(18)15(19)9-17/h2-8H,18H2,1H3
InChIKey TWHJRAPJVLSSBG-UHFFFAOYSA-N
Molecular Weight 356.356 g/mol
SMILES Nc1c([n](S(c2ccc(C)cc2)(=O)=O)c2c1cc(N(=O)=O)cc2)C#N
SPLASH splash10-0zfu-9561000000-9109dbb8bac4945ac823
Source of Spectrum F-66-3021-4c
Wiley ID 1682700