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4-Cyanophenyl 4-n-propylbenzoate

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

4-Cyanophenyl 4-n-propylbenzoate
SpectraBase Compound ID 31LUgp0QzA1
InChI InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h4-11H,2-3H2,1H3
InChIKey NCTWNVKZQMMLIV-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C17H15NO2
Exact Mass 265.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPfKzCiBwi5
Name 4-Cyanophenyl 4-propylbenzoate
Alternate Name(s) 4-Propylbenzoic acid (4-cyanophenyl) ester Benzoic acid, 4-propyl-, 4-cyanophenyl ester
CAS Registry Number 56131-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO2
InChI InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h4-11H,2-3H2,1H3
InChIKey NCTWNVKZQMMLIV-UHFFFAOYSA-N
Molecular Weight 265.312 g/mol
SMILES CCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
SPLASH splash10-0002-5900000000-917086daaff14d0cf3d5
Wiley ID 1476050