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4-{3-[(E)-(2-hydroxy-1-naphthyl)diazenyl]-2-thienyl}butanoic acid

View entire compound with spectra: 2 NMR

4-{3-[(E)-(2-hydroxy-1-naphthyl)diazenyl]-2-thienyl}butanoic acid
SpectraBase Compound ID Lf01hrhEMy8
InChI InChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)/b20-19+
InChIKey WEIJHIKGHDELEJ-FMQUCBEESA-N
Mol Weight 340.4 g/mol
Molecular Formula C18H16N2O3S
Exact Mass 340.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 100HEngu3ef
Name 4-{3-[(E)-(2-Hydroxy-1-naphthyl)diazenyl]-2-thienyl}butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.088163554 u
Formula C18H16N2O3S
InChI InChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)/b20-19+
InChIKey WEIJHIKGHDELEJ-FMQUCBEESA-N
Molecular Weight 340.397 g/mol
SMILES OC(CCCC1=C(\N=N\C=2C(=CC=C3C2C=CC=C3)O)C=CS1)=O