| SpectraBase Compound ID | FH9u090XYlu |
|---|---|
| InChI | InChI=1S/C22H17Br/c23-22-13-11-18(12-14-22)17-5-7-19(8-6-17)21-10-9-16-3-1-2-4-20(16)15-21/h1-14,21H,15H2 |
| InChIKey | IKIUSSGGHKEPRW-UHFFFAOYSA-N |
| Mol Weight | 361.28 g/mol |
| Molecular Formula | C22H17Br |
| Exact Mass | 360.051364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DePPFwtxQbJ |
|---|---|
| Name | Brodifacoum-A 3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.051363547 u |
| Formula | C22H17Br |
| InChI | InChI=1S/C22H17Br/c23-22-13-11-18(12-14-22)17-5-7-19(8-6-17)21-10-9-16-3-1-2-4-20(16)15-21/h1-14,21H,15H2 |
| InChIKey | IKIUSSGGHKEPRW-UHFFFAOYSA-N |
| Molecular Weight | 361.282 g/mol |
| SMILES | C1(C=2C=CC(C=3C=CC(=CC3)Br)=CC2)CC2=C(C=C1)C=CC=C2 |