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3-pyridazin-3-yl-1-(2-pyridin-2-ylethyl)thiourea
SpectraBase Compound ID 9lAI41lKsVB
InChI InChI=1S/C12H13N5S/c18-12(16-11-5-3-8-15-17-11)14-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H2,14,16,17,18)
InChIKey KQVSZZVSTLJYRR-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 8Wwkqg668Ou
Name 3-pyridazin-3-yl-1-(2-pyridin-2-ylethyl)thiourea
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N5S
InChI InChI=1S/C12H13N5S/c18-12(16-11-5-3-8-15-17-11)14-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H2,14,16,17,18)
InChIKey KQVSZZVSTLJYRR-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 UWCP4156