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2-[N'-[2-(4-CHLOROPHENYL)-2-OXO-1-[(4H-[1,2,4]-TRIAZOL-3-YLIMINO)-METHYL]-ETHYLIDENE]-HYDRAZINO]-BENZONITRILE
SpectraBase Compound ID DdpRJH9qwez
InChI InChI=1S/C18H12ClN7O/c19-14-7-5-12(6-8-14)17(27)16(10-21-18-22-11-23-26-18)25-24-15-4-2-1-3-13(15)9-20/h1-8,10-11,24H,(H,22,23,26)/b21-10+,25-16+
InChIKey AOBKVSRIVNVPIK-UYBZJIRCSA-N
Mol Weight 377.8 g/mol
Molecular Formula C18H12ClN7O
Exact Mass 377.079186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2zw7KfK36P
Name 2-[N'-[2-(4-CHLOROPHENYL)-2-OXO-1-[(4H-[1,2,4]-TRIAZOL-3-YLIMINO)-METHYL]-ETHYLIDENE]-HYDRAZINO]-BENZONITRILE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12ClN7O
InChI InChI=1S/C18H12ClN7O/c19-14-7-5-12(6-8-14)17(27)16(10-21-18-22-11-23-26-18)25-24-15-4-2-1-3-13(15)9-20/h1-8,10-11,24H,(H,22,23,26)/b21-10+,25-16+
InChIKey AOBKVSRIVNVPIK-UYBZJIRCSA-N
Literature Reference Author K.M.AL-ZAYDI,R.M.BORIK,M.H.ELNAGDI
Literature Reference Citation MOLECULES,8,910(2003)
Literature Reference DOI 10.3390/81200910
Molecular Weight 377.793 g/mol
Solvent Unknown
Source File Reference UWMS5859