| SpectraBase Spectrum ID |
DvdJUXrzWVU |
| Name |
1,2-Cyclopentanediacetic acid, 4-oxo-, diethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.131073739 u |
| Formula |
C13H20O5 |
| InChI |
InChI=1S/C13H20O5/c1-3-17-12(15)7-9-5-11(14)6-10(9)8-13(16)18-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
| InChIKey |
ZHZHWNGBWWRNAM-UWVGGRQHSA-N |
| Molecular Weight |
256.298 g/mol |
| SMILES |
[C@]1([C@](CC(=O)OCC)(CC(C1)=O)[H])(CC(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867687 |
