| SpectraBase Spectrum ID |
7gwvc0lC4PX |
| Name |
Glutaric acid, pent-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 |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-4-7-9-14-21-17(19)12-10-13-18(20)22-15-16(6-3)11-8-5-2/h7,9,16H,4-6,8,10-15H2,1-3H3/b9-7+ |
| InChIKey |
DJLPXBIOZFVRBJ-VQHVLOKHSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892669 |
