For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DkLoEPgEdJH
Name Benzoic acid, 4-butyl-, 4-cyanophenyl ester
CAS Registry Number 38690-77-6
Copyright Copyright © 2020-2024 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
Molecular Weight 279.339 g/mol
SMILES C(c1ccc(cc1)OC(c1ccc(cc1)CCCC)=O)#N
SPLASH splash10-03di-5900000000-c16a317b71d88caa8bf4
Source of Spectrum W5-25004-0-0
Synonyms (4-cyanophenyl) 4-butylbenzoate 4-Butylbenzoic acid (4-cyanophenyl) ester p-Cyanophenyl p-butylbenzoate EINECS 254-085-6
Wiley ID 1283144