| SpectraBase Compound ID | 1ejiGqVM4TX |
|---|---|
| InChI | InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17) |
| InChIKey | SIBQAECNSSQUOD-UHFFFAOYSA-N |
| Mol Weight | 294.33 g/mol |
| Molecular Formula | C12H14N4O3S |
| Exact Mass | 294.078661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdvTIlK8KIA |
|---|---|
| Name | Sulfacytine in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.078661498 u |
| Formula | C12H14N4O3S |
| InChI | InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17) |
| InChIKey | SIBQAECNSSQUOD-UHFFFAOYSA-N |
| Molecular Weight | 294.329 g/mol |
| SMILES | NC1=CC=C(S(=O)(=O)NC2=NC(N(C=C2)CC)=O)C=C1 |