For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 4-amino-3-(phenylethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 4-amino-3-(phenylethynyl)benzoate
SpectraBase Compound ID 6Ae5bytTSrL
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-9-10-15(17)13(11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,17H2,1H3
InChIKey ALUNEEBAKSTGSA-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CBoTX7f6Q1n
Name Methyl 4-amino-3-(phenylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-19-16(18)14-9-10-15(17)13(11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,17H2,1H3
InChIKey ALUNEEBAKSTGSA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 251.285 g/mol
SMILES Nc1c(cc(cc1)C(=O)OC)C#Cc1ccccc1
SPLASH splash10-0ukc-0590000000-39b2b4490bd8f7751008
Source of Spectrum A1-11-4262/SMS3-21d
Wiley ID 1757162