| SpectraBase Spectrum ID |
L1RDK31Zj8T |
| Name |
Methyl (1S*,2S*,4R*)-5-bromo-8,8-dimethoxy-1,2-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/c1-12-7-9(15)8(6-13(12,2)11(17)18-3)14(19-4,20-5)10(12)16/h7-8H,6H2,1-5H3/t8-,12+,13+/m0/s1 |
| InChIKey |
ARKJNMOMDONGHG-ZEGGKSINSA-N |
| Molecular Weight |
347.205 g/mol |
| SMILES |
[C@@]12([C@](C[C@](C(=C2)Br)([H])C(C1=O)(OC)OC)(C(=O)OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944677 |
![Methyl (1S*,2S*,4R*)-5-bromo-8,8-dimethoxy-1,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate](/api/spectrum/L1RDK31Zj8T/structure.png?h=300&w=458 "Methyl (1S*,2S*,4R*)-5-bromo-8,8-dimethoxy-1,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate")
