| SpectraBase Spectrum ID |
IIUSYoIptQA |
| Name |
Glutaric acid, 2-ethylhexyl 3-methylbut-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 |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-5-7-9-16(6-2)14-22-18(20)11-8-10-17(19)21-13-12-15(3)4/h16H,3,5-14H2,1-2,4H3 |
| InChIKey |
NWKNMEDWXWKXJB-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939519 |
