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4-Cyanophenyl 4-n-butylbenzoate

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4-Cyanophenyl 4-n-butylbenzoate
SpectraBase Compound ID 7Mc67EjgikB
InChI InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
InChIKey XQRFASOUJIKXRE-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wtZKhan7Zg
Name p-HYDROXYBENZONITRILE, p-BUTYLBENZOATE (ESTER)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
InChIKey XQRFASOUJIKXRE-UHFFFAOYSA-N
Melting Point 67-69C
Molecular Weight 279.34
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-BUTYL-, P-CYANOPHENYL ESTER BENZONITRILE, P-HYDROXY-, P-BUTYLBENZOATE (ESTER)