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4-Cyanophenyl 4-heptylbenzoate

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4-Cyanophenyl 4-heptylbenzoate
SpectraBase Compound ID 1bqLaiZsLUY
InChI InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChIKey ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LsPsIdVZWK
Name p-HYDROXYBENZONITRILE, p-HEPTYLBENZOATE (ESTER)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChIKey ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Melting Point 44-45C
Molecular Weight 321.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-HEPTYL-, P-CYANOPHENYL ESTER BENZONITRILE, P-HYDROXY-, P-HEPTYLBENZOATE (ESTER)