| SpectraBase Compound ID | 94ak3Ow7EhW |
|---|---|
| InChI | InChI=1S/C7H8N4.C6H6O3S/c1-4-2-6(9)11-7(10)5(4)3-8;7-10(8,9)6-4-2-1-3-5-6/h2H,1H3,(H4,9,10,11);1-5H,(H,7,8,9) |
| InChIKey | KXIDZPGTPMUVII-UHFFFAOYSA-N |
| Mol Weight | 306.34 g/mol |
| Molecular Formula | C13H14N4O3S |
| Exact Mass | 306.078661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaqWCbfCIo4 |
|---|---|
| Name | 2,6-DIAMINO-4-METHYL-5-BENZENE-SULFONATE-3-PYRIDIN-CARBONITRILE |
| Compound Number | 13 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C7H8N4.C6H6O3S/c1-4-2-6(9)11-7(10)5(4)3-8;7-10(8,9)6-4-2-1-3-5-6/h2H,1H3,(H4,9,10,11);1-5H,(H,7,8,9) |
| InChIKey | KXIDZPGTPMUVII-UHFFFAOYSA-N |
| Literature Reference | T.P.SMITH,P.J.STEEL J.HETCYCL.CHEM.,32,979(1995) |
| Solvent | Dimethyl sulfoxide-d6 |