| SpectraBase Spectrum ID |
GazsbndmHko |
| Name |
8-Benzyloxy-3,7-dimethyl-(2E,6E)-2,6-octadienyl bromide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.093228360 u |
| Formula |
C17H23BrO |
| InChI |
InChI=1S/C17H23BrO/c1-15(11-12-18)7-6-8-16(2)13-19-14-17-9-4-3-5-10-17/h3-5,8-11H,6-7,12-14H2,1-2H3/b15-11+,16-8+ |
| InChIKey |
JBBFRURLNYRUOC-ZYHSJPTQSA-N |
| Molecular Weight |
323.274 g/mol |
| SMILES |
C(\C=C\(CC\C=C\(COCC=1C=CC=CC1)C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831706 |
