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methyl 4-((2-aminophenyl)ethynyl)benzoate
SpectraBase Compound ID IoKjvzcnNY6
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17/h2-5,7-8,10-11H,17H2,1H3
InChIKey UDBFIZQGVFLZSY-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 D7orBsIehrN
Name methyl 4-((2-aminophenyl)ethynyl)benzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17/h2-5,7-8,10-11H,17H2,1H3
InChIKey UDBFIZQGVFLZSY-UHFFFAOYSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101505
Molecular Weight 251.285 g/mol
Quality 638
SMILES NC1=C(C#CC2=CC=C(C(OC)=O)C=C2)C=CC=C1
SPLASH splash10-0udl-2890000000-e66da558088b2b827ec5
Source of Spectrum K1-2022-SM43-3x (DOI: 10.1002/ejoc.202101505)
Wiley ID 1900860