| SpectraBase Compound ID | 1yUi6zO5ZXL |
|---|---|
| InChI | InChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)7(13)4-3-11-12-8(4)10/h1-3H,(H3,10,11,12) |
| InChIKey | ULWJSASNNGVPSZ-UHFFFAOYSA-N |
| Mol Weight | 272.12 g/mol |
| Molecular Formula | C8H6BrN3OS |
| Exact Mass | 270.941496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78N4tEyrk00 |
|---|---|
| Name | (5-Amino-1H-pyrazol-4-yl)(5-bromothiophen-2-yl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.941495998 u |
| Formula | C8H6BrN3OS |
| InChI | InChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)7(13)4-3-11-12-8(4)10/h1-3H,(H3,10,11,12) |
| InChIKey | ULWJSASNNGVPSZ-UHFFFAOYSA-N |
| SMILES | C1(C(C=2SC(Br)=CC2)=O)=C(NN=C1)N |