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(Cyanodiphenylmethyl)diphenylacetic acid

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(Cyanodiphenylmethyl)diphenylacetic acid
SpectraBase Compound ID 7MEN5Pyb4R8
InChI InChI=1S/C28H21NO2/c29-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)28(26(30)31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,(H,30,31)
InChIKey XUVGAKWCCCMCAA-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C28H21NO2
Exact Mass 403.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93vjXZHyPJ6
Name (Cyanodiphenylmethyl)diphenylacetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.157228918 u
Formula C28H21NO2
InChI InChI=1S/C28H21NO2/c29-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)28(26(30)31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,(H,30,31)
InChIKey XUVGAKWCCCMCAA-UHFFFAOYSA-N
Molecular Weight 403.481 g/mol
SMILES C1=C(C=CC=C1)C(C(C1=CC=CC=C1)(C1=CC=CC=C1)C(O)=O)(C1=CC=CC=C1)C#N