| SpectraBase Spectrum ID |
1nIw0mqVUEB |
| Name |
1,2-Cyclopentanedicarboxylic acid, 4-ethylidene-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.104858991 u |
| Formula |
C11H16O4 |
| InChI |
InChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3 |
| InChIKey |
PDYLXXJTHVSEBG-UHFFFAOYSA-N |
| Molecular Weight |
212.245 g/mol |
| SMILES |
C(OC)(=O)C1C(C(OC)=O)CC(C1)=CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887007 |
