| SpectraBase Spectrum ID |
4aYOV3fY6f0 |
| Name |
3-Methyl-3,4-epoxy-6-isopropyl-7,7-dibromobicyclo[4.1.0]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.956791134 u |
| Formula |
C11H16Br2O |
| InChI |
InChI=1S/C11H16Br2O/c1-6(2)10-5-8-9(3,14-8)4-7(10)11(10,12)13/h6-8H,4-5H2,1-3H3 |
| InChIKey |
LNYAKHGXDNXPQU-UHFFFAOYSA-N |
| Molecular Weight |
324.056 g/mol |
| SMILES |
C12(C(Br)(Br)C2CC2(C(O2)C1)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948699 |
![3-Methyl-3,4-epoxy-6-isopropyl-7,7-dibromobicyclo[4.1.0]heptane](/api/spectrum/4aYOV3fY6f0/structure.png?h=300&w=458 "3-Methyl-3,4-epoxy-6-isopropyl-7,7-dibromobicyclo[4.1.0]heptane")
