John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4wYoNDcX7xX SpectraBase Spectrum ID=1IjjlcDmxSk

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5-[(FERROCENE-1-YL-METHYLIDENE)-AMINO]-3-[(4-METHOXYPHENYL)-AMINO]-1H-PYRAZOLE-4-CARBOXAMIDE
SpectraBase Compound ID 4wYoNDcX7xX
InChI InChI=1S/C17H12N5O2.C5H.Fe/c1-24-13-8-6-12(7-9-13)20-17-14(15(18)23)16(21-22-17)19-10-11-4-2-3-5-11;1-2-4-5-3-1;/h6-10H,1H3,(H2,18,23)(H2,20,21,22);1H;/b19-10-;;
InChIKey OQFAGWLZSDZJJH-WCBKVOPYSA-N
Mol Weight 435.22 g/mol
Molecular Formula C22H13FeN5O2
Exact Mass 435.041864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IjjlcDmxSk
Name 5-[(FERROCENE-1-YL-METHYLIDENE)-AMINO]-3-[(4-METHOXYPHENYL)-AMINO]-1H-PYRAZOLE-4-CARBOXAMIDE
Compound Number 12J
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H13FeN5O2
InChI InChI=1S/C17H12N5O2.C5H.Fe/c1-24-13-8-6-12(7-9-13)20-17-14(15(18)23)16(21-22-17)19-10-11-4-2-3-5-11;1-2-4-5-3-1;/h6-10H,1H3,(H2,18,23)(H2,20,21,22);1H;/b19-10-;;
InChIKey OQFAGWLZSDZJJH-WCBKVOPYSA-N
Literature Reference Author T.S.HAFEZ,S.A.OSMAN,H.A.A.YOSEF,A.S.A.EL-ALL,A.S.HASSAN,A.A. EL-SAWY,M.M.ABDALLAH
Literature Reference Citation SCI.PHARM.,81,339(2013)
Molecular Weight 435.225 g/mol
Sample ID 73561
Solvent DMSO-D6
SpectraBase Batch ID Cq1EU6OfGYM