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2-(2'-Chloro-6'-methyl-phenyl)-imino-1,3-diaza-cyclohexane

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2-(2'-Chloro-6'-methyl-phenyl)-imino-1,3-diaza-cyclohexane
SpectraBase Compound ID pto9zO5yy5
InChI InChI=1S/C11H14ClN3/c1-8-4-2-5-9(12)10(8)15-11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H2,13,14,15)
InChIKey KXCGFGSSGOTKKI-UHFFFAOYSA-N
Mol Weight 223.71 g/mol
Molecular Formula C11H14ClN3
Exact Mass 223.087625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55fJQzMFvP8
Name 2-(2'-Chloro-6'-methyl-phenyl)-imino-1,3-diaza-cyclohexane
CAS Registry Number 4749-53-5
Comments MOLECULE WAS MEASURED AS FREE BASE THE IMINO TAUTOMER DOMINATES THE AMINO TAUTOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14ClN3
InChI InChI=1S/C11H14ClN3/c1-8-4-2-5-9(12)10(8)15-11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H2,13,14,15)
InChIKey KXCGFGSSGOTKKI-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference L.M. Jackman, T. Jen, J. Am. Chem. Soc. 97, 2811 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3