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Propanenitrile, 3-[(2-amino-5-nitrophenyl)sulfonyl]-
SpectraBase Compound ID 7c898FEW6ME
InChI InChI=1S/C9H9N3O4S/c10-4-1-5-17(15,16)9-6-7(12(13)14)2-3-8(9)11/h2-3,6H,1,5,11H2
InChIKey RAWRTWCTZJCKJC-UHFFFAOYSA-N
Mol Weight 255.25 g/mol
Molecular Formula C9H9N3O4S
Exact Mass 255.031377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXiv8QompPY
Name Propanenitrile, 3-[(2-amino-5-nitrophenyl)sulfonyl]-
Alternate Name(s) 3-((2-amino-5-nitrophenyl)sulfonyl)propanenitrile 3-[(2-amino-5-nitrophenyl)sulfonyl]propanenitrile 3-(2-amino-5-nitrophenyl)sulfonylpropanenitrile 3-(2-amino-5-nitro-phenyl)sulfonylpropanenitrile 3-(2-azanyl-5-nitro-phenyl)sulfonylpropanenitrile
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Formula C9H9N3O4S
InChI InChI=1S/C9H9N3O4S/c10-4-1-5-17(15,16)9-6-7(12(13)14)2-3-8(9)11/h2-3,6H,1,5,11H2
InChIKey RAWRTWCTZJCKJC-UHFFFAOYSA-N
Molecular Weight 255.248 g/mol
SMILES Nc1ccc(cc1S(=O)(=O)CCC#N)[N+]([O-])=O
SPLASH splash10-0k9i-9750000000-35fbf2e097e6bf46eb9b
Source of Spectrum JX-2015-1-874
Wiley ID 1721645