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3,5-Diamino-6-(phenylethynyl)-1,2,4-triazine
SpectraBase Compound ID 7ayxvbeDFAr
InChI InChI=1S/C11H9N5/c12-10-9(15-16-11(13)14-10)7-6-8-4-2-1-3-5-8/h1-5H,(H4,12,13,14,16)
InChIKey RZXAQCDPVFMYRC-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C11H9N5
Exact Mass 211.085795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lfBLOf06QT
Name 3,5-Diamino-6-(phenylethynyl)-1,2,4-triazine
Alternate Name(s) 3-Amino-6-(phenylethynyl)-1,2,4-triazin-5-ylamine 6-(Phenylethynyl)-1,2,4-triazine-3,5-diamine
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Formula C11H9N5
InChI InChI=1S/C11H9N5/c12-10-9(15-16-11(13)14-10)7-6-8-4-2-1-3-5-8/h1-5H,(H4,12,13,14,16)
InChIKey RZXAQCDPVFMYRC-UHFFFAOYSA-N
Molecular Weight 211.228 g/mol
SMILES Nc1nnc(c(n1)N)C#Cc1ccccc1
SPLASH splash10-01ox-0950000000-7ceb4134e4da65c4ec50
Source of Spectrum QB-17-1081-3
Wiley ID 841710