| SpectraBase Spectrum ID |
LM2jof8K1iC |
| Name |
1,2-Cyclopentanediacetic acid, 4-oxo-, dimethyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.099773610 u |
| Formula |
C11H16O5 |
| InChI |
InChI=1S/C11H16O5/c1-15-10(13)5-7-3-9(12)4-8(7)6-11(14)16-2/h7-8H,3-6H2,1-2H3/t7-,8+ |
| InChIKey |
WMZIMDPTSNILLM-OCAPTIKFSA-N |
| Molecular Weight |
228.244 g/mol |
| SMILES |
[C@]1([C@@](CC(=O)OC)(CC(C1)=O)[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918057 |
