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S-BENZYL-N-(1,1-DIMETHYLETHYL)-N'-(2-PYRIMIDINYL)-ISOTHIOUREA
SpectraBase Compound ID ZZG0qHUrxv
InChI InChI=1S/C16H20N4S/c1-16(2,3)20-15(19-14-17-10-7-11-18-14)21-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,17,18,19,20)
InChIKey YZSZRFMSZPTEFJ-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C16H20N4S
Exact Mass 300.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9GZaXpUJAc
Name S-BENZYL-N-(1,1-DIMETHYLETHYL)-N'-(2-PYRIMIDINYL)-ISOTHIOUREA
Compound Number 3BB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N4S
InChI InChI=1S/C16H20N4S/c1-16(2,3)20-15(19-14-17-10-7-11-18-14)21-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,17,18,19,20)
InChIKey YZSZRFMSZPTEFJ-UHFFFAOYSA-N
Literature Reference Author G.HEINISCH,B.MATUSZCZAK,D.RAKOWITZ,K.MEREITER
Literature Reference Citation J.HETCYCL.CHEM.,39,695(2002)
Literature Reference DOI 10.1002/jhet.5570390414
Molecular Weight 300.422 g/mol
Solvent CDCl3
Source File Reference UWSI8718