| SpectraBase Spectrum ID |
K4Sr6AC3e1N |
| Name |
Glutaric acid, isobutyl 3-methylbut-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-11(2)8-9-17-13(15)6-5-7-14(16)18-10-12(3)4/h12H,1,5-10H2,2-4H3 |
| InChIKey |
HCEPQGMYGLGTFS-UHFFFAOYSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
CC(CCOC(CCCC(OCC(C)C)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811252 |
