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(4-bromo-2-{(E)-[(3-pyridinylcarbonyl)hydrazono]methyl}phenoxy)acetic acid

View entire compound with spectra: 2 NMR

(4-bromo-2-{(E)-[(3-pyridinylcarbonyl)hydrazono]methyl}phenoxy)acetic acid
SpectraBase Compound ID 5SIiPERmEbM
InChI InChI=1S/C15H12BrN3O4/c16-12-3-4-13(23-9-14(20)21)11(6-12)8-18-19-15(22)10-2-1-5-17-7-10/h1-8H,9H2,(H,19,22)(H,20,21)/b18-8+
InChIKey CVAHTEPPAJNTDS-QGMBQPNBSA-N
Mol Weight 378.18 g/mol
Molecular Formula C15H12BrN3O4
Exact Mass 377.001119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUyDLWm6nlw
Name (4-Bromo-2-{(E)-[(3-pyridinylcarbonyl)hydrazono]methyl}phenoxy)acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 377.001118874 u
Formula C15H12BrN3O4
InChI InChI=1S/C15H12BrN3O4/c16-12-3-4-13(23-9-14(20)21)11(6-12)8-18-19-15(22)10-2-1-5-17-7-10/h1-8H,9H2,(H,19,22)(H,20,21)/b18-8+
InChIKey CVAHTEPPAJNTDS-QGMBQPNBSA-N
Molecular Weight 378.182 g/mol
SMILES N(\N=C\C1=C(OCC(=O)O)C=CC(=C1)Br)C(C=1C=NC=CC1)=O