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4-Cyanobenzoic acid, benzyl ester
SpectraBase Compound ID 1EopRKGEY4P
InChI InChI=1S/C15H11NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,11H2
InChIKey GIDNRRAOOBZPAB-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C15H11NO2
Exact Mass 237.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0kdN8iGx4R
Name 4-Cyanobenzoic acid, benzyl ester
Alternate Name(s) Benzyl 4-Cyanobenzoate 4-Cyanobenzoic acid (phenylmethyl) ester (phenylmethyl) 4-cyanobenzoate
CAS Registry Number 18693-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,11H2
InChIKey GIDNRRAOOBZPAB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 237.258 g/mol
SMILES c1(ccc(cc1)C#N)C(OCc1ccccc1)=O
SPLASH splash10-001i-3940000000-44aaf8b30cbf079cd8c5
Source of Spectrum J-77-8348-3db
Wiley ID 1745241