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6-CHLORO-N-(4-METHOXYBENZYL)-2-METHYLTHIO-N-NITROSO-PYRIMIDIN-4-AMINE
SpectraBase Compound ID Lh8gi59y4fK
InChI InChI=1S/C13H13ClN4O2S/c1-20-10-5-3-9(4-6-10)8-18(17-19)12-7-11(14)15-13(16-12)21-2/h3-7H,8H2,1-2H3
InChIKey XLIAXMGJANKILB-UHFFFAOYSA-N
Mol Weight 324.79 g/mol
Molecular Formula C13H13ClN4O2S
Exact Mass 324.044775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XQ0ikvr1iH
Name 6-CHLORO-N-(4-METHOXYBENZYL)-2-METHYLTHIO-N-NITROSO-PYRIMIDIN-4-AMINE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN4O2S
InChI InChI=1S/C13H13ClN4O2S/c1-20-10-5-3-9(4-6-10)8-18(17-19)12-7-11(14)15-13(16-12)21-2/h3-7H,8H2,1-2H3
InChIKey XLIAXMGJANKILB-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 324.785 g/mol
Solvent DMSO-D6
Source File Reference UWLU77479