| SpectraBase Spectrum ID |
GHjWzkJLePd |
| Name |
Propanedioic acid, (2-methyl-4-oxo-2-pentenyl)-, diethyl ester, (E)- |
| 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/c1-5-17-12(15)11(13(16)18-6-2)8-9(3)7-10(4)14/h7,11H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey |
ZFUZZDUKDYLKFD-VQHVLOKHSA-N |
| Molecular Weight |
256.298 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)C\C(=C\C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984868 |
