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N(4)-BENZYL-N(6),N(6)-DIETHYL-2-METHYLTHIO-5-NITROSO-PYRIMIDINE-4,6-DIAMINE
SpectraBase Compound ID K4uszxcKGto
InChI InChI=1S/C16H21N5OS/c1-4-21(5-2)15-13(20-22)14(18-16(19-15)23-3)17-11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,17,18,19)
InChIKey UQXRRCQRGRUAFW-UHFFFAOYSA-N
Mol Weight 331.44 g/mol
Molecular Formula C16H21N5OS
Exact Mass 331.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWFGl0p0JDV
Name N(4)-BENZYL-N(6),N(6)-DIETHYL-2-METHYLTHIO-5-NITROSO-PYRIMIDINE-4,6-DIAMINE
Compound Number 6EC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N5OS
InChI InChI=1S/C16H21N5OS/c1-4-21(5-2)15-13(20-22)14(18-16(19-15)23-3)17-11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,17,18,19)
InChIKey UQXRRCQRGRUAFW-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 331.436 g/mol
Solvent CDCl3
Source File Reference UWLU77467