| SpectraBase Spectrum ID |
ENm0EByaY7m |
| Name |
Methyl (1S*,4S*,7R*,8S*)-7-phenyl-2,5-dioxobicyclo[2.2.2]octane-8-carboxylate 5-ethylene ketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.131073739 u |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-21-17(20)16-13-9-14(19)12(10-18(13)22-7-8-23-18)15(16)11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-10H2,1H3/t12-,13+,15-,16-/m1/s1 |
| InChIKey |
ZKBFINONEACXAF-OCVGTWLNSA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
C12([C@@]3([C@@](C(=O)OC)([C@@]([C@](C2)(C(=O)C3)[H])(C=2C=CC=CC2)[H])[H])[H])OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868308 |
![Methyl (1S*,4S*,7R*,8S*)-7-phenyl-2,5-dioxobicyclo[2.2.2]octane-8-carboxylate 5-ethylene ketal](/api/spectrum/ENm0EByaY7m/structure.png?h=300&w=458 "Methyl (1S*,4S*,7R*,8S*)-7-phenyl-2,5-dioxobicyclo[2.2.2]octane-8-carboxylate 5-ethylene ketal")
