| SpectraBase Spectrum ID |
8uop5T4aP0L |
| Name |
(E)-(4R,5R)-1-Bromo-4,5-(isopropylidenedioxy)-3-methyl-2-hexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.041192785 u |
| Formula |
C10H17BrO2 |
| InChI |
InChI=1S/C10H17BrO2/c1-7(5-6-11)9-8(2)12-10(3,4)13-9/h5,8-9H,6H2,1-4H3/b7-5+/t8-,9-/m1/s1 |
| InChIKey |
LWAOQNLHCJIHSG-LKJMDQPVSA-N |
| Molecular Weight |
249.148 g/mol |
| SMILES |
C1(O[C@](\C(=C\CBr)C)([C@](O1)(C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810861 |
