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3-[2'-(N-2"-(3"'-Methoxycarbonylpropynyl)azolano]pyridinium - dicyanomethylide
SpectraBase Compound ID 9n7LixLUHwo
InChI InChI=1S/C17H16N4O2/c1-23-17(22)7-4-9-20-8-3-6-16(20)14-5-2-10-21(13-14)15(11-18)12-19/h2,5,10,13,16H,3,6,8-9H2,1H3
InChIKey KGENYZWKYCJSKU-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C17H16N4O2
Exact Mass 308.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUZtCXPpNGR
Name 3-[2'-(N-2"-(3"'-Methoxycarbonylpropynyl)azolano]pyridinium - dicyanomethylide
Comments Less than 3 mono-isotopic peaks
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Formula C17H16N4O2
InChI InChI=1S/C17H16N4O2/c1-23-17(22)7-4-9-20-8-3-6-16(20)14-5-2-10-21(13-14)15(11-18)12-19/h2,5,10,13,16H,3,6,8-9H2,1H3
InChIKey KGENYZWKYCJSKU-UHFFFAOYSA-N
Molecular Weight 308.341 g/mol
SMILES [C-]([n+]1cc(C2N(CC#CC(=O)OC)CCC2)ccc1)(C#N)C#N
SPLASH splash10-001i-0090000000-29432fa94bb91ab6cec4
Source of Spectrum D8-326-445-9
Wiley ID 1514870