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4-(4-Phenylazo-phenylcarbamoyl)-butyric acid

View entire compound with spectra: 1 NMR

4-(4-Phenylazo-phenylcarbamoyl)-butyric acid
SpectraBase Compound ID LhrsjYbyPoX
InChI InChI=1S/C17H17N3O3/c21-16(7-4-8-17(22)23)18-13-9-11-15(12-10-13)20-19-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2,(H,18,21)(H,22,23)/b20-19+
InChIKey PHOIXZQJCRTLDC-FMQUCBEESA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99CnISWqVq6
Name 4-(4-Phenylazo-phenylcarbamoyl)-butyric acid
Comments Computed using HOSE algorithm
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Exact Mass 311.126991416 u
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c21-16(7-4-8-17(22)23)18-13-9-11-15(12-10-13)20-19-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2,(H,18,21)(H,22,23)/b20-19+
InChIKey PHOIXZQJCRTLDC-FMQUCBEESA-N
Molecular Weight 311.341 g/mol
SMILES C1(\N=N\C2=CC=C(NC(=O)CCCC(=O)O)C=C2)=CC=CC=C1