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DIETHYL-(5-AMINO-1-(6-CHLOROPYRIDAZIN-3-YL)-3-METHYLSULFANYL-1H-PYRAZOL-4-YL)-PHOSPHONATE
SpectraBase Compound ID 3JUuTOG2Ipi
InChI InChI=1S/C12H17ClN5O3PS/c1-4-20-22(19,21-5-2)10-11(14)18(17-12(10)23-3)9-7-6-8(13)15-16-9/h6-7H,4-5,14H2,1-3H3
InChIKey ZXJMJLLWQNPBGO-UHFFFAOYSA-N
Mol Weight 377.79 g/mol
Molecular Formula C12H17ClN5O3PS
Exact Mass 377.047825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHYPOXaxPEY
Name DIETHYL-(5-AMINO-1-(6-CHLOROPYRIDAZIN-3-YL)-3-METHYLSULFANYL-1H-PYRAZOL-4-YL)-PHOSPHONATE
Compound Number 5.1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClN5O3PS
InChI InChI=1S/C12H17ClN5O3PS/c1-4-20-22(19,21-5-2)10-11(14)18(17-12(10)23-3)9-7-6-8(13)15-16-9/h6-7H,4-5,14H2,1-3H3
InChIKey ZXJMJLLWQNPBGO-UHFFFAOYSA-N
Literature Reference Author H.G.KRUG,R.NEIDLEIN,R.BOESE,W.KRAMER
Literature Reference Citation HETEROCYCLES,41,721(1995)
Literature Reference DOI 10.3987/COM-94-6976
Molecular Weight 377.785 g/mol
Solvent CDCl3
Source File Reference UWCP6066