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Methyl 4-(4-cyanophenyl)benzoate
SpectraBase Compound ID FSRwc040VNE
InChI InChI=1S/C15H11NO2/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9H,1H3
InChIKey FIYLQUDLOIWNDL-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 6qTEAIQUYMc
Name Methyl 4-(4-cyanophenyl)benzoate
CAS Registry Number 89900-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9H,1H3
InChIKey FIYLQUDLOIWNDL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo202472k
Molecular Weight 237.258 g/mol
SMILES c1c(ccc(c1)-c1ccc(cc1)C(OC)=O)C#N
SPLASH splash10-0a4i-0290000000-52605694a13eb64fa56e
Source of Spectrum J-77-3547-Table5,entry2
Synonyms 4-(4-Acetophenyl)benzonitrile Methyl 4'-cyano-[1,1'-biphenyl]-4-carboxylate
Wiley ID 1745001