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p-heptybenzoic acid, 4'-cyano-4-biphenylyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

p-heptybenzoic acid, 4'-cyano-4-biphenylyl ester
SpectraBase Compound ID Kb8O5Zh8PfY
InChI InChI=1S/C27H27NO2/c1-2-3-4-5-6-7-21-8-14-25(15-9-21)27(29)30-26-18-16-24(17-19-26)23-12-10-22(20-28)11-13-23/h8-19H,2-7H2,1H3
InChIKey XSQVYEWBLVGAAQ-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C27H27NO2
Exact Mass 397.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiJ4letqVke
Name p-HEPTYLBENZOIC ACID, 4'-CYANO-4-BIPHENYLYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO2
InChI InChI=1S/C27H27NO2/c1-2-3-4-5-6-7-21-8-14-25(15-9-21)27(29)30-26-18-16-24(17-19-26)23-12-10-22(20-28)11-13-23/h8-19H,2-7H2,1H3
InChIKey XSQVYEWBLVGAAQ-UHFFFAOYSA-N
Molecular Weight 397.52
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-BIPHENYLCARBONITRILE, 4'-HYDROXY-, P-HEPTYLBENZOATE (ESTER) BENZOIC ACID, P-HEPTYL-, 4'-CYANO- 4-BIPHENYLYL ESTER