| SpectraBase Compound ID | 2h4po7Gm2az |
|---|---|
| InChI | InChI=1S/C10H9N3S/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2 |
| InChIKey | JCMYOIICNKTTFG-UHFFFAOYSA-N |
| Mol Weight | 203.26 g/mol |
| Molecular Formula | C10H9N3S |
| Exact Mass | 203.051718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFXdUkTAgj |
|---|---|
| Name | Benzenamine, 4-(2-pyrimidinylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.051718476 u |
| Formula | C10H9N3S |
| InChI | InChI=1S/C10H9N3S/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2 |
| InChIKey | JCMYOIICNKTTFG-UHFFFAOYSA-N |
| Molecular Weight | 203.263 g/mol |
| SMILES | NC1=CC=C(SC2=NC=CC=N2)C=C1 |