| SpectraBase Compound ID | GVN3XJv1tLs |
|---|---|
| InChI | InChI=1S/C12H18N5O3S2/c1-8-11(3-4-18)21-7-17(8)6-10-5-14-9(2)15-12(10)16-22(13,19)20/h5,7,18H,3-4,6H2,1-2H3,(H2,13,19,20)(H,14,15,16)/q+1/p+1 |
| InChIKey | QRCGTVRJOYULTD-UHFFFAOYSA-O |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C12H19N5O3S2 |
| Exact Mass | 345.092932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZvTel1ObRb |
|---|---|
| Name | 5-(5-<2-Hydroxy-ethyl>-4-methyl-3-thiazolium)-methyl-2-methyl-4-sulfamoylamino-pyrimidinium dication |
| Comments | H2O/CD3OD 6/4 AS SOLVENT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H19N5O3S2 |
| InChI | InChI=1S/C12H18N5O3S2/c1-8-11(3-4-18)21-7-17(8)6-10-5-14-9(2)15-12(10)16-22(13,19)20/h5,7,18H,3-4,6H2,1-2H3,(H2,13,19,20)(H,14,15,16)/q+1/p+1 |
| InChIKey | QRCGTVRJOYULTD-UHFFFAOYSA-O |
| Instrument Name | Bruker AM-200 |
| Literature Reference | J-M.E. Chahine, J. Chem. Soc. Perkin II 505 (1990). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Mixture |