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5-Nitro-2-(p-phenylstyryl)imidazole-1-ethanol, p-toluenesulfonate(ester)

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

5-Nitro-2-(p-phenylstyryl)imidazole-1-ethanol, p-toluenesulfonate(ester)
SpectraBase Compound ID FdnKd01hgHD
InChI InChI=1S/C26H23N3O5S/c1-20-7-14-24(15-8-20)35(32,33)34-18-17-28-25(27-19-26(28)29(30)31)16-11-21-9-12-23(13-10-21)22-5-3-2-4-6-22/h2-16,19H,17-18H2,1H3
InChIKey HMTOGMIBLQPSAI-UHFFFAOYSA-N
Mol Weight 489.55 g/mol
Molecular Formula C26H23N3O5S
Exact Mass 489.135842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LReFv3QPNK0
Name 5-Nitro-2-(p-phenylstyryl)imidazole-1-ethanol, p-toluenesulfonate(ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.135842022 u
Formula C26H23N3O5S
InChI InChI=1S/C26H23N3O5S/c1-20-7-14-24(15-8-20)35(32,33)34-18-17-28-25(27-19-26(28)29(30)31)16-11-21-9-12-23(13-10-21)22-5-3-2-4-6-22/h2-16,19H,17-18H2,1H3
InChIKey HMTOGMIBLQPSAI-UHFFFAOYSA-N
Molecular Weight 489.546 g/mol
SMILES N(=O)(=O)C=1N(C(=NC1)C=CC1=CC=C(C=C1)C=1C=CC=CC1)CCOS(=O)(=O)C=1C=CC(=CC1)C