| SpectraBase Spectrum ID |
Ib0h0YIth4P |
| Name |
Methyl-2-methyl-8,8-dimethoxy-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 |
254.115423675 u |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-12(11(15)16-2)7-8-5-6-9(12)10(14)13(8,17-3)18-4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey |
HWWMJAGJXLXEBY-UHFFFAOYSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
C1(C(C2C(CC1C=C2)(C(=O)OC)C)=O)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957018 |
![Methyl-2-methyl-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate](/api/spectrum/Ib0h0YIth4P/structure.png?h=300&w=458 "Methyl-2-methyl-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate")
