| SpectraBase Spectrum ID |
2rmxX1jaSvD |
| Name |
Glutaric acid, hex-2-en-1-yl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-7-9-10-15-22-18(20)13-11-14-19(21)23-16-17(6-3)12-8-5-2/h9-10,17H,4-8,11-16H2,1-3H3/b10-9+ |
| InChIKey |
AQMLGTTVAJUZJK-MDZDMXLPSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC\C=C\CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914788 |
