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4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)-N-methylamino]benzoic acid

View entire compound with spectra: 2 NMR, and 2 FTIR

4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)-N-methylamino]benzoic acid
SpectraBase Compound ID HzXTtkVFb9N
InChI InChI=1S/C14H13N5O2/c1-19(11-4-2-9(3-5-11)14(20)21)8-10-7-17-13(16)12(6-15)18-10/h2-5,7H,8H2,1H3,(H2,16,17)(H,20,21)
InChIKey DVQBOYRIMJTZEN-UHFFFAOYSA-N
Mol Weight 283.29 g/mol
Molecular Formula C14H13N5O2
Exact Mass 283.106925 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9XnjKOI37lU
Name 4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)-N-methylamino]benzoic acid
Catalog Number 861561
CAS Registry Number 43111-44-0
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N5O2
InChI InChI=1S/C14H13N5O2/c1-19(11-4-2-9(3-5-11)14(20)21)8-10-7-17-13(16)12(6-15)18-10/h2-5,7H,8H2,1H3,(H2,16,17)(H,20,21)
InChIKey DVQBOYRIMJTZEN-UHFFFAOYSA-N
Synonyms 4-{[(5-Amino-6-cyanopyrazin-2-yl)methyl](methyl)amino}benzoic acid Benzoic acid,4-[[(5-amino-6-cyano-2-pyrazinyl)methyl]methylamino]-
Wiley ID SIAL_ATR-IR_022189