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METHYL-3-(3-ADAMANTYLTHIOUREIDO)-2-PYRAZINECARBOXYLATE

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METHYL-3-(3-ADAMANTYLTHIOUREIDO)-2-PYRAZINECARBOXYLATE
SpectraBase Compound ID 691PXdUwS2C
InChI InChI=1S/C17H22N4O2S/c1-23-16(22)14-15(19-3-2-18-14)21-17(24)20-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-13H,4-8H2,1H3,(H2,19,20,21,24)/t9-,10+,11-,12+,13?
InChIKey JFKDEVAAEYQISL-HTYKTIJTSA-N
Mol Weight 346.45 g/mol
Molecular Formula C17H22N4O2S
Exact Mass 346.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Wkcr9Ba5mQ
Name METHYL-3-(3-ADAMANTYLTHIOUREIDO)-2-PYRAZINECARBOXYLATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N4O2S
InChI InChI=1S/C17H22N4O2S/c1-23-16(22)14-15(19-3-2-18-14)21-17(24)20-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-13H,4-8H2,1H3,(H2,19,20,21,24)/t9-,10+,11-,12+,13?
InChIKey JFKDEVAAEYQISL-HTYKTIJTSA-N
Literature Reference Author U.URLEB,R.NEIDLEIN,W.KRAMER
Literature Reference Citation J.HETCYCL.CHEM.,27,433(1990)
Literature Reference DOI 10.1002/jhet.5570270261
Molecular Weight 346.447 g/mol
Solvent CDCl3
Source File Reference UWCP3156