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Ethyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID 7jEY8WIyZ5l
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)13-9-7-12(8-10-13)15-6-4-3-5-14(15)11-17/h3-10H,2H2,1H3
InChIKey TVVQJLZUDQSXEA-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 E8muKRtCu4s
Name Ethyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)13-9-7-12(8-10-13)15-6-4-3-5-14(15)11-17/h3-10H,2H2,1H3
InChIKey TVVQJLZUDQSXEA-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)-c1c(cccc1)C#N
SPLASH splash10-0kdi-0930000000-ebd5f76a8768ee0335da
Source of Spectrum ACI-58-SM22-6k
Wiley ID 1875527