SpectraBase Compound ID | Axbn7MgKChF |
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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 |
SpectraBase Spectrum ID | 24r0ex3pVuR |
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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 |