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2-[[4-amino-6-(phenylamino)pyrimidin-5-yl]thio]acetonitrile
SpectraBase Compound ID JoiBPlPyy3Z
InChI InChI=1S/C12H11N5S/c13-6-7-18-10-11(14)15-8-16-12(10)17-9-4-2-1-3-5-9/h1-5,8H,7H2,(H3,14,15,16,17)
InChIKey IYCCITDNZZDHSR-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C12H11N5S
Exact Mass 257.073517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID II8XEyl0SF1
Name 2-[[4-amino-6-(phenylamino)pyrimidin-5-yl]thio]acetonitrile
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N5S
InChI InChI=1S/C12H11N5S/c13-6-7-18-10-11(14)15-8-16-12(10)17-9-4-2-1-3-5-9/h1-5,8H,7H2,(H3,14,15,16,17)
InChIKey IYCCITDNZZDHSR-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,U.HAIN,R.SCHINDLER,M.GRUNER
Literature Reference Citation MH.CHEM.,125,1129(1994)
Literature Reference DOI 10.1007/BF00811521
Molecular Weight 257.313 g/mol
Solvent DMSO-D6
Source File Reference UWPR1899