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2-(2'-Aminophenylethynyl)benzoic methyl ester

View entire compound with spectra: 2 MS (GC)

2-(2'-Aminophenylethynyl)benzoic methyl ester
SpectraBase Compound ID BBmZEYWxORu
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-9H,17H2,1H3
InChIKey XJINVSUGOAFDBD-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 23OB9TnAOW
Name 2-(2'-Aminophenylethynyl)benzoic methyl ester
Alternate Name(s) 1-[(2'-Methoxycarbonyl)phenyl]-2-(2''-aminophenyl)-acetylene Methyl 2-[(2'-aminophenyl)ethynyl]benzoate Methyl 2-[(2-aminophenyl)ethynyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-9H,17H2,1H3
InChIKey XJINVSUGOAFDBD-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES Nc1c(C#Cc2c(C(=O)OC)cccc2)cccc1
SPLASH splash10-0gb9-0190000000-e2216fddf84e16968baa
Source of Spectrum Y2-26-841-4
Wiley ID 1547296