| SpectraBase Spectrum ID |
6eZruyLiZhX |
| Name |
3,5-Dibromo-alpha-ethyl-4-methoxybenzyl alcohol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.920405624 u |
| Formula |
C10H12Br2O2 |
| InChI |
InChI=1S/C10H12Br2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5,9,13H,3H2,1-2H3 |
| InChIKey |
OTSNZFAVZLUQNH-UHFFFAOYSA-N |
| Molecular Weight |
324.012 g/mol |
| SMILES |
OC(C1=CC(=C(C(=C1)Br)OC)Br)CC |
| Spectrum/Structure Validation Score (Raman) |
0.834245 |
