| SpectraBase Compound ID | 1zfcol6xRfG |
|---|---|
| InChI | InChI=1S/C10H8BrN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14) |
| InChIKey | NZKCHNPLNFMXFU-UHFFFAOYSA-N |
| Mol Weight | 266.1 g/mol |
| Molecular Formula | C10H8BrN3O |
| Exact Mass | 264.985075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HocFp2Ftql |
|---|---|
| Name | (5-Amino-1H-pyrazol-4-yl)(4-bromophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.985074889 u |
| Formula | C10H8BrN3O |
| InChI | InChI=1S/C10H8BrN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14) |
| InChIKey | NZKCHNPLNFMXFU-UHFFFAOYSA-N |
| Molecular Weight | 266.098 g/mol |
| SMILES | C1(=C(NN=C1)N)C(C1=CC=C(C=C1)Br)=O |