| SpectraBase Compound ID | EV6dtOLZ949 |
|---|---|
| InChI | InChI=1S/C13H10N4OS2/c18-11(17-12-14-6-3-7-15-12)8-19-13-16-9-4-1-2-5-10(9)20-13/h1-7H,8H2,(H,14,15,17,18) |
| InChIKey | YALAFJCQBRIWRE-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C13H10N4OS2 |
| Exact Mass | 302.029603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WTPC1QJpNE |
|---|---|
| Name | 2-(1,3-Benzothiazol-2-ylsulfanyl)-N-(2-pyrimidinyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.029603305 u |
| Formula | C13H10N4OS2 |
| InChI | InChI=1S/C13H10N4OS2/c18-11(17-12-14-6-3-7-15-12)8-19-13-16-9-4-1-2-5-10(9)20-13/h1-7H,8H2,(H,14,15,17,18) |
| InChIKey | YALAFJCQBRIWRE-UHFFFAOYSA-N |
| SMILES | N(C(CSC1=NC2=CC=CC=C2S1)=O)C1=NC=CC=N1 |