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N-[4-(6-CHLOROPYRIDINE-3-YLMETHYL)-6-THIA-4-AZASPIRO-[2.4]-HEPT-5-YLIDENE]-CYANAMIDE
SpectraBase Compound ID El4NrzSt1yx
InChI InChI=1S/C12H11ClN4S/c13-10-2-1-9(5-15-10)6-17-11(16-8-14)18-7-12(17)3-4-12/h1-2,5H,3-4,6-7H2/b16-11-
InChIKey MTEBEJJZGIIXCP-WJDWOHSUSA-N
Mol Weight 278.76 g/mol
Molecular Formula C12H11ClN4S
Exact Mass 278.039295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SKa3kIYUoE
Name N-[4-(6-CHLOROPYRIDINE-3-YLMETHYL)-6-THIA-4-AZASPIRO-[2.4]-HEPT-5-YLIDENE]-CYANAMIDE
Compound Number 14-CP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11ClN4S
InChI InChI=1S/C12H11ClN4S/c13-10-2-1-9(5-15-10)6-17-11(16-8-14)18-7-12(17)3-4-12/h1-2,5H,3-4,6-7H2/b16-11-
InChIKey MTEBEJJZGIIXCP-WJDWOHSUSA-N
Literature Reference Author F.BRACKMANN,D.S.YUFIT,J.A.K.HOWARD,M.ES-SAYED,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,600(2005)
Molecular Weight 278.759 g/mol
Sample ID 38996
Solvent CDCl3