| SpectraBase Spectrum ID |
4VOuDikuu2e |
| Name |
Glutaric acid, 2-methylpent-3-yl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-5-7-8-9-13-20-16(18)11-10-12-17(19)21-15(6-2)14(3)4/h7-8,14-15H,5-6,9-13H2,1-4H3/b8-7+ |
| InChIKey |
SKIYWHBHRZYHHT-BQYQJAHWSA-N |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OCC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872627 |
