![N,N-dimethyl-N'-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]acetamidine](/api/spectrum/INXW3A7MOJu/structure.png?h=300&w=458 "N,N-dimethyl-N'-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]acetamidine")
| SpectraBase Compound ID | AyjhKfJMOHs |
|---|---|
| InChI | InChI=1S/C9H13Br3N4/c1-6(15(2)3)13-4-5-16-9(12)7(10)8(11)14-16/h4-5H2,1-3H3/b13-6+ |
| InChIKey | ZCSRCFBOIALIQA-AWNIVKPZSA-N |
| Mol Weight | 416.94 g/mol |
| Molecular Formula | C9H13Br3N4 |
| Exact Mass | 413.869035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INXW3A7MOJu |
|---|---|
| Name | N,N-Dimethyl-N'-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]acetamidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.869035435 u |
| Formula | C9H13Br3N4 |
| InChI | InChI=1S/C9H13Br3N4/c1-6(15(2)3)13-4-5-16-9(12)7(10)8(11)14-16/h4-5H2,1-3H3/b13-6+ |
| InChIKey | ZCSRCFBOIALIQA-AWNIVKPZSA-N |
| Molecular Weight | 416.943 g/mol |
| SMILES | C(CN1N=C(C(=C1Br)Br)Br)\N=C/(N(C)C)C |