![1-Bromanyl-4-[(E)-pent-1-enyl]benzene](/api/spectrum/KVs4Mr7eyBW/structure.png?h=300&w=458 "1-Bromanyl-4-[(E)-pent-1-enyl]benzene")
| SpectraBase Compound ID | 3FtkDe5Ijzi |
|---|---|
| InChI | InChI=1S/C11H13Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h4-9H,2-3H2,1H3/b5-4+ |
| InChIKey | ZERQUOCILMRYJE-SNAWJCMRSA-N |
| Mol Weight | 225.13 g/mol |
| Molecular Formula | C11H13Br |
| Exact Mass | 224.020063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVs4Mr7eyBW |
|---|---|
| Name | 1-Bromanyl-4-[(E)-pent-1-enyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.020063419 u |
| Formula | C11H13Br |
| InChI | InChI=1S/C11H13Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h4-9H,2-3H2,1H3/b5-4+ |
| InChIKey | ZERQUOCILMRYJE-SNAWJCMRSA-N |
| Molecular Weight | 225.129 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)Br)CC |