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N-BENZYL-6-CHLORO-2-METHYLTHIO-N-NITROSO-PYRIMIDIN-4-AMINE
SpectraBase Compound ID 4L0DTmVN19y
InChI InChI=1S/C12H11ClN4OS/c1-19-12-14-10(13)7-11(15-12)17(16-18)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey XSHXODAPHCTKLT-UHFFFAOYSA-N
Mol Weight 294.76 g/mol
Molecular Formula C12H11ClN4OS
Exact Mass 294.03421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DFMXEDO7QU
Name N-BENZYL-6-CHLORO-2-METHYLTHIO-N-NITROSO-PYRIMIDIN-4-AMINE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11ClN4OS
InChI InChI=1S/C12H11ClN4OS/c1-19-12-14-10(13)7-11(15-12)17(16-18)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey XSHXODAPHCTKLT-UHFFFAOYSA-N
Literature Reference Author I.CIKOTIENE,M.JONUSIS,V.JAKUBKIENE
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1819(2013)
Literature Reference DOI 10.3762/bjoc.9.212
Molecular Weight 294.759 g/mol
Solvent CDCl3
Source File Reference UWLU77478