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4'-[(2-Propyl-2',6-bi-1H-benzo[d]imidazole-1-yl)methyl]biphenyl-2-carboxylic acid

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4'-[(2-Propyl-2',6-bi-1H-benzo[d]imidazole-1-yl)methyl]biphenyl-2-carboxylic acid
SpectraBase Compound ID 8LB6MCokp5K
InChI InChI=1S/C31H26N4O2/c1-2-7-29-32-27-17-16-22(30-33-25-10-5-6-11-26(25)34-30)18-28(27)35(29)19-20-12-14-21(15-13-20)23-8-3-4-9-24(23)31(36)37/h3-6,8-18H,2,7,19H2,1H3,(H,33,34)(H,36,37)
InChIKey ZKVFIBGUJUXRDP-UHFFFAOYSA-N
Mol Weight 486.58 g/mol
Molecular Formula C31H26N4O2
Exact Mass 486.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HC6qYu6gum
Name 4'-[(2-propyl-2',6-bi-1H-benzo[D]imidazole-1-yl)methyl]biphenyl-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.205576091 u
Formula C31H26N4O2
InChI InChI=1S/C31H26N4O2/c1-2-7-29-32-27-17-16-22(30-33-25-10-5-6-11-26(25)34-30)18-28(27)35(29)19-20-12-14-21(15-13-20)23-8-3-4-9-24(23)31(36)37/h3-6,8-18H,2,7,19H2,1H3,(H,33,34)(H,36,37)
InChIKey ZKVFIBGUJUXRDP-UHFFFAOYSA-N
Molecular Weight 486.575 g/mol
SMILES C=1(NC=2C=CC=CC2N1)C1=CC=C2C(N(C(=N2)CCC)CC=2C=CC(=CC2)C=2C(=CC=CC2)C(=O)O)=C1