SpectraBase Spectrum ID |
7aQEERV3bSV |
Name |
Glutaric acid, 3-methylbut-2-en-1-yl 2-ethylbutyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.198759378 u |
Formula |
C16H28O4 |
InChI |
InChI=1S/C16H28O4/c1-5-14(6-2)12-20-16(18)9-7-8-15(17)19-11-10-13(3)4/h10,14H,5-9,11-12H2,1-4H3 |
InChIKey |
MGWICACRNOFRQC-UHFFFAOYSA-N |
SMILES |
C(CCC(OCC=C(C)C)=O)C(OCC(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942549 |