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5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-furohydrazide
SpectraBase Compound ID 479qLLlpjz3
InChI InChI=1S/C18H18BrN5O2/c1-23(2)15-5-3-13(4-6-15)9-20-22-18(25)17-8-7-16(26-17)12-24-11-14(19)10-21-24/h3-11H,12H2,1-2H3,(H,22,25)/b20-9+
InChIKey QJVJBHBNVMMIMD-AWQFTUOYSA-N
Mol Weight 416.28 g/mol
Molecular Formula C18H18BrN5O2
Exact Mass 415.064388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KNMXFsGAuu
Name 5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-furohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.064387838 u
Formula C18H18BrN5O2
InChI InChI=1S/C18H18BrN5O2/c1-23(2)15-5-3-13(4-6-15)9-20-22-18(25)17-8-7-16(26-17)12-24-11-14(19)10-21-24/h3-11H,12H2,1-2H3,(H,22,25)/b20-9+
InChIKey QJVJBHBNVMMIMD-AWQFTUOYSA-N
Molecular Weight 416.279 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)N(C)C)C(C=1OC(CN2N=CC(=C2)Br)=CC1)=O