| SpectraBase Compound ID | IPMC18MVSC |
|---|---|
| InChI | InChI=1S/C17H14Br2N2/c1-11-16(12-3-7-14(18)8-4-12)20-21(2)17(11)13-5-9-15(19)10-6-13/h3-10H,1-2H3 |
| InChIKey | QDXIJEACHZZPAJ-UHFFFAOYSA-N |
| Mol Weight | 406.12 g/mol |
| Molecular Formula | C17H14Br2N2 |
| Exact Mass | 403.952374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7zV2QJjRFJ |
|---|---|
| Name | 3,5-bis(4-Bromophenyl)-1,4-dimethyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.952374459 u |
| Formula | C17H14Br2N2 |
| InChI | InChI=1S/C17H14Br2N2/c1-11-16(12-3-7-14(18)8-4-12)20-21(2)17(11)13-5-9-15(19)10-6-13/h3-10H,1-2H3 |
| InChIKey | QDXIJEACHZZPAJ-UHFFFAOYSA-N |
| Molecular Weight | 406.121 g/mol |
| SMILES | CN1N=C(C2=CC=C(C=C2)Br)C(=C1C=1C=CC(Br)=CC1)C |