| SpectraBase Spectrum ID |
FVjOB9ZTsWP |
| Name |
Methyl (1S*,2S*,4S*)-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 |
268.131073739 u |
| Formula |
C14H20O5 |
| InChI |
InChI=1S/C14H20O5/c1-12-7-6-9(8-13(12,2)11(16)17-3)14(18-4,19-5)10(12)15/h6-7,9H,8H2,1-5H3/t9-,12-,13-/m1/s1 |
| InChIKey |
BLBVTTKBZSMDHS-OASPWFOLSA-N |
| Molecular Weight |
268.309 g/mol |
| SMILES |
[C@@]12([C@](C[C@](C=C2)([H])C(C1=O)(OC)OC)(C(=O)OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958252 |
![Methyl (1S*,2S*,4S*)-8,8-dimethoxy-1,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate](/api/spectrum/FVjOB9ZTsWP/structure.png?h=300&w=458 "Methyl (1S*,2S*,4S*)-8,8-dimethoxy-1,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate")
