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4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)amino]benzoic acid
SpectraBase Compound ID Axbn7MgKChF
InChI InChI=1S/C13H11N5O2/c14-5-11-12(15)17-7-10(18-11)6-16-9-3-1-8(2-4-9)13(19)20/h1-4,7,16H,6H2,(H2,15,17)(H,19,20)
InChIKey KTQXGFMQHZQJBP-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 24r0ex3pVuR
Name 4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)amino]benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 861596
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c14-5-11-12(15)17-7-10(18-11)6-16-9-3-1-8(2-4-9)13(19)20/h1-4,7,16H,6H2,(H2,15,17)(H,19,20)
InChIKey KTQXGFMQHZQJBP-UHFFFAOYSA-N
Molecular Weight 269.264 g/mol
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015144