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3-cyano-4'-methyl-[1,1'-Biphenyl]-2-carboxylic acid methyl ester
SpectraBase Compound ID 5B6qgPn2ec
InChI InChI=1S/C16H13NO2/c1-11-6-8-12(9-7-11)14-5-3-4-13(10-17)15(14)16(18)19-2/h3-9H,1-2H3
InChIKey DIYABOJTBQGUOG-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 Hjj3uTj5vfF
Name 3-cyano-4'-methyl-[1,1'-Biphenyl]-2-carboxylic acid methyl ester
Appearance Colorless solid
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Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-11-6-8-12(9-7-11)14-5-3-4-13(10-17)15(14)16(18)19-2/h3-9H,1-2H3
InChIKey DIYABOJTBQGUOG-UHFFFAOYSA-N
Instrument Name Agilent 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900596
Molecular Weight 251.285 g/mol
Reported Formula C16H13NO2
SMILES c1c(c(c(-c2ccc(cc2)C)cc1)C(=O)OC)C#N
SPLASH splash10-0fk9-0190000000-ac9154a59ec5ae291322
Source of Spectrum ASC-361-SM36-3ea
Wiley ID 1835343