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3-Pyrrolidinecarboxylic acid, 1-(4-bromophenyl)-5-oxo-, N'-[(3-nitrophenyl)methylidene]hydrazide
SpectraBase Compound ID b2RL5IXY5R
InChI InChI=1S/C18H15BrN4O4/c19-14-4-6-15(7-5-14)22-11-13(9-17(22)24)18(25)21-20-10-12-2-1-3-16(8-12)23(26)27/h1-8,10,13H,9,11H2,(H,21,25)/b20-10+
InChIKey VSZZBHCIDZHCAX-KEBDBYFISA-N
Mol Weight 431.25 g/mol
Molecular Formula C18H15BrN4O4
Exact Mass 430.027668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xs8Echha8Q
Name 3-Pyrrolidinecarboxylic acid, 1-(4-bromophenyl)-5-oxo-, N'-[(3-nitrophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 430.027667975 u
Formula C18H15BrN4O4
InChI InChI=1S/C18H15BrN4O4/c19-14-4-6-15(7-5-14)22-11-13(9-17(22)24)18(25)21-20-10-12-2-1-3-16(8-12)23(26)27/h1-8,10,13H,9,11H2,(H,21,25)/b20-10+
InChIKey VSZZBHCIDZHCAX-KEBDBYFISA-N
Molecular Weight 431.246 g/mol
SMILES C1(N(CC(C1)C(N\N=C\C=1C=C(N(=O)=O)C=CC1)=O)C1=CC=C(C=C1)Br)=O