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4-Cyano-4'-(carbethoxy)biphenyl
SpectraBase Compound ID Emxh96lhOvD
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h3-10H,2H2,1H3
InChIKey MOBULWWIIMBNQE-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HujruyiBZur
Name Ethyl 4'-cyano-[1,1'-biphenyl]-4-carboxylate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h3-10H,2H2,1H3
InChIKey MOBULWWIIMBNQE-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 251.285 g/mol
Reported Formula C16H13NO2
SMILES C(C)OC(=O)c1ccc(cc1)-c1ccc(cc1)C#N
SPLASH splash10-0pdi-0690000000-e699cb7da8487e853a1f
Source of Spectrum ACI-58-SM19-6h
Wiley ID 1875524