| SpectraBase Spectrum ID |
ALxWKpc36JI |
| Name |
Succinic acid, 1-cyclopentylethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-3-16-12(14)8-9-13(15)17-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3 |
| InChIKey |
UULAAQQVWUWUGX-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C(C(OC(C)C1CCCC1)=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853613 |
