| SpectraBase Spectrum ID |
DLweLwQshT7 |
| Name |
Adipic acid, ethyl 3-oxobut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.131073739 u |
| Formula |
C12H20O5 |
| InChI |
InChI=1S/C12H20O5/c1-4-16-11(14)7-5-6-8-12(15)17-10(3)9(2)13/h10H,4-8H2,1-3H3 |
| InChIKey |
LBMXWWUWJMWIQF-UHFFFAOYSA-N |
| Molecular Weight |
244.287 g/mol |
| SMILES |
C(CCCC(=O)OC(C(C)=O)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889318 |
