| SpectraBase Spectrum ID |
6nRxhprZkGq |
| Name |
rac-1-(2,3-Dibromopropoxy)-2,6-diisopropylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.003741327 u |
| Formula |
C15H22Br2O |
| InChI |
InChI=1S/C15H22Br2O/c1-10(2)13-6-5-7-14(11(3)4)15(13)18-9-12(17)8-16/h5-7,10-12H,8-9H2,1-4H3 |
| InChIKey |
LEBJGHQMJZFNQN-UHFFFAOYSA-N |
| Molecular Weight |
378.148 g/mol |
| SMILES |
C(Br)(CBr)COC1=C(C=CC=C1C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906305 |
