| SpectraBase Spectrum ID |
LcGSft3AONT |
| Name |
1-[(1E,3E,5E)-6-Bromanylhexa-1,3,5-trienyl]-4-methoxy-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939097 |