| SpectraBase Spectrum ID |
F2TaOr35jqN |
| Name |
Diethyl-3-[(Z)-1-propenyl]-pentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-4-7-10(8-11(13)15-5-2)9-12(14)16-6-3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4- |
| InChIKey |
CEPAQNPCOPRRPD-DAXSKMNVSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
C(=O)(CC(CC(=O)OCC)\C=C/C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980026 |
![Diethyl 3-[(Z)-1-Propenyl]pentanedioate](/api/spectrum/F2TaOr35jqN/structure.png?h=300&w=458 "Diethyl 3-[(Z)-1-Propenyl]pentanedioate")
