| SpectraBase Spectrum ID |
Ifa6wvpz505 |
| Name |
Methyl (1R*,2S*,4R*)-5-bromo-8,8-dimethoxy-2,6-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.041586707 u |
| Formula |
C14H19BrO5 |
| InChI |
InChI=1S/C14H19BrO5/c1-7-9-11(16)14(19-4,20-5)8(10(7)15)6-13(9,2)12(17)18-3/h8-9H,6H2,1-5H3/t8-,9+,13-/m0/s1 |
| InChIKey |
UXQFMEWARCYJHG-RWEMILLDSA-N |
| Molecular Weight |
347.205 g/mol |
| SMILES |
[C@]12(C(C(=O)[C@@]([C@](C2)(C(=O)OC)C)([H])C(=C1Br)C)(OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926369 |
![Methyl (1R*,2S*,4R*)-5-bromo-8,8-dimethoxy-2,6-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate](/api/spectrum/Ifa6wvpz505/structure.png?h=300&w=458 "Methyl (1R*,2S*,4R*)-5-bromo-8,8-dimethoxy-2,6-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate")
