![N-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]benzamide](/api/spectrum/JYR2kbvVckB/structure.png?h=300&w=458 "N-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]benzamide")
| SpectraBase Compound ID | zaPBhPJ55e |
|---|---|
| InChI | InChI=1S/C12H10Br3N3O/c13-9-10(14)17-18(11(9)15)7-6-16-12(19)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,19) |
| InChIKey | QYZHCQLHAYMWFA-UHFFFAOYSA-N |
| Mol Weight | 451.94 g/mol |
| Molecular Formula | C12H10Br3N3O |
| Exact Mass | 448.837401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYR2kbvVckB |
|---|---|
| Name | N-[2-(3,4,5-Tribromopyrazol-1-yl)ethyl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.837400953 u |
| Formula | C12H10Br3N3O |
| InChI | InChI=1S/C12H10Br3N3O/c13-9-10(14)17-18(11(9)15)7-6-16-12(19)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,19) |
| InChIKey | QYZHCQLHAYMWFA-UHFFFAOYSA-N |
| Molecular Weight | 451.944 g/mol |
| SMILES | N(C(C1=CC=CC=C1)=O)CCN1C(=C(C(=N1)Br)Br)Br |