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1-(2-pyridin-2-ylethyl)-3-pyrimidin-2-ylthiourea
SpectraBase Compound ID 36teu7qrzjr
InChI InChI=1S/C12H13N5S/c18-12(17-11-14-7-3-8-15-11)16-9-5-10-4-1-2-6-13-10/h1-4,6-8H,5,9H2,(H2,14,15,16,17,18)
InChIKey GQZNCGOJALLTCL-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C12H13N5S
Exact Mass 259.089167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvunlFL4kpo
Name 1-(2-pyridin-2-ylethyl)-3-pyrimidin-2-ylthiourea
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N5S
InChI InChI=1S/C12H13N5S/c18-12(17-11-14-7-3-8-15-11)16-9-5-10-4-1-2-6-13-10/h1-4,6-8H,5,9H2,(H2,14,15,16,17,18)
InChIKey GQZNCGOJALLTCL-UHFFFAOYSA-N
Literature Reference Author G.HEINISCH,P.LUKAVSKY,B.MATUSZCZAK,D.RAKOWITZ
Literature Reference Citation MAGN.RES.CHEM.,35,653(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199709)35:9<653::aid-omr136>3.0.co;2-x
Molecular Weight 259.329 g/mol
Solvent DMSO-D6
Source File Reference UWCP4158