![1-[(1E,3E,5E)-6-bromanylhexa-1,3,5-trienyl]-4-methoxy-benzene](/api/spectrum/IIK96E0H4vt/structure.png?h=300&w=458 "1-[(1E,3E,5E)-6-bromanylhexa-1,3,5-trienyl]-4-methoxy-benzene")
| SpectraBase Compound ID | 7SC5VzXFb8h |
|---|---|
| InChI | InChI=1S/C13H13BrO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h2-11H,1H3/b3-2+,6-4+,11-5+ |
| InChIKey | JTGBUFDYAAZHRI-HLAOSXDDSA-N |
| Mol Weight | 265.15 g/mol |
| Molecular Formula | C13H13BrO |
| Exact Mass | 264.014978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIK96E0H4vt |
|---|---|
| Name | 1-[(1E,3E,5E)-6-Bromanylhexa-1,3,5-trienyl]-4-methoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.014978038 u |
| Formula | C13H13BrO |
| InChI | InChI=1S/C13H13BrO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h2-11H,1H3/b3-2+,6-4+,11-5+ |
| InChIKey | JTGBUFDYAAZHRI-HLAOSXDDSA-N |
| SMILES | C1(\C=C\C=C\C=C\Br)=CC=C(C=C1)OC |