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o-Pyrrol-1-ylbenzoic acid, (m-nitrobenzylidene)hydrazine
SpectraBase Compound ID 6baLwc86Hhm
InChI InChI=1S/C18H14N4O3/c23-18(16-5-1-2-6-17(16)21-11-3-4-12-21)20-19-13-14-7-9-15(10-8-14)22(24)25/h1-13H,(H,20,23)/b19-13+
InChIKey PRQJDOKLDIKRTN-CPNJWEJPSA-N
Mol Weight 334.34 g/mol
Molecular Formula C18H14N4O3
Exact Mass 334.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IDYLsOnNnC
Name o-Pyrrol-1-ylbenzoic acid, (m-nitrobenzylidene)hydrazine
Comments Computed using HOSE algorithm
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Exact Mass 334.106590324 u
Formula C18H14N4O3
InChI InChI=1S/C18H14N4O3/c23-18(16-5-1-2-6-17(16)21-11-3-4-12-21)20-19-13-14-7-9-15(10-8-14)22(24)25/h1-13H,(H,20,23)/b19-13+
InChIKey PRQJDOKLDIKRTN-CPNJWEJPSA-N
Molecular Weight 334.335 g/mol
SMILES N(C(C=1C=CC=CC1N1C=CC=C1)=O)\N=C\C1=CC=C(C=C1)N(=O)=O