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3-Cyano-2-ethyl-9-methyl-4-(methylthio)pyrido[2,3-b]indole
SpectraBase Compound ID DJpRifLbURZ
InChI InChI=1S/C16H15N3S/c1-4-12-11(9-17)15(20-3)14-10-7-5-6-8-13(10)19(2)16(14)18-12/h5-8H,4H2,1-3H3
InChIKey HDQBFIUISASCHC-UHFFFAOYSA-N
Mol Weight 281.38 g/mol
Molecular Formula C16H15N3S
Exact Mass 281.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aysef1V8j3l
Name 3-Cyano-2-ethyl-9-methyl-4-(methylthio)pyrido[2,3-b]indole
Alternate Name(s) 2-ethyl-9-methyl-4-(methylsulfanyl)-9H-pyrido[2,3-b]indole-3-carbonitrile 2-ethyl-9-methyl-4-(methylthio)-3-pyrido[2,3-b]indolecarbonitrile 2-ethyl-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile 2-ethyl-9-methyl-4-methylsulfanyl-pyrido[2,3-b]indole-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H15N3S
InChI InChI=1S/C16H15N3S/c1-4-12-11(9-17)15(20-3)14-10-7-5-6-8-13(10)19(2)16(14)18-12/h5-8H,4H2,1-3H3
InChIKey HDQBFIUISASCHC-UHFFFAOYSA-N
Molecular Weight 281.377 g/mol
SMILES c12[n](c3ccccc3c2c(c(c(n1)CC)C#N)SC)C
SPLASH splash10-001i-0090000000-2ca49af47b755ca33279
Source of Spectrum F-57-787-21
Wiley ID 1549485