| SpectraBase Compound ID | jK3jwTq9hE |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-4H,1-2,5-10H2 |
| InChIKey | NJSWADUSSGQREI-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2W45blx5vhe |
|---|---|
| Name | Succinic acid, di(but-3-en-1-yl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-4H,1-2,5-10H2 |
| InChIKey | NJSWADUSSGQREI-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(CC(OCCC=C)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916839 |