| SpectraBase Compound ID | 1SJvI2v4UzM |
|---|---|
| InChI | InChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11) |
| InChIKey | IXOUSLAWDHODKH-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C8H7N3S |
| Exact Mass | 177.036068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4X7XmTLlsN1 |
|---|---|
| Name | 4-(2-Thienyl)-2-pyrimidinylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.036068411 u |
| Formula | C8H7N3S |
| InChI | InChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11) |
| InChIKey | IXOUSLAWDHODKH-UHFFFAOYSA-N |
| Molecular Weight | 177.225 g/mol |
| SMILES | C=1(SC=CC1)C1=NC(=NC=C1)N |