| SpectraBase Spectrum ID |
EsrliiUEDFT |
| Name |
Glutaric acid, di(but-2-en-1-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-3-5-10-16-12(14)8-7-9-13(15)17-11-6-4-2/h3-6H,7-11H2,1-2H3/b5-3+,6-4+ |
| InChIKey |
HOZJSHZQUOQVPQ-GGWOSOGESA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(CCC(OC\C=C\C)=O)C(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985735 |
