| SpectraBase Compound ID | 5nnulUuM12i |
|---|---|
| InChI | InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DLCYFIIONMLNAJ-UHFFFAOYSA-N |
| Mol Weight | 247.13 g/mol |
| Molecular Formula | C13H11Br |
| Exact Mass | 246.004413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZD4tppwrnj |
|---|---|
| Name | 1-Benzyl-2-bromobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.004413354 u |
| Formula | C13H11Br |
| InChI | InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DLCYFIIONMLNAJ-UHFFFAOYSA-N |
| Molecular Weight | 247.135 g/mol |
| SMILES | C=1C=C(CC2=CC=CC=C2)C(=CC1)Br |