![4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)amino]benzoic acid](/api/spectrum/2Us9x9A1u59/structure.png?h=300&w=458 "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 |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 2Us9x9A1u59 |
|---|---|
| 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 | 1H |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_1HNMR_015038 |