| SpectraBase Spectrum ID |
7LsyefGueCU |
| Name |
Adipic acid, isobutyl pent-4-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-5-8-13(4)19-15(17)10-7-6-9-14(16)18-11-12(2)3/h5,12-13H,1,6-11H2,2-4H3 |
| InChIKey |
BAVPTJDUNMBIIK-UHFFFAOYSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(CCC(OC(C)CC=C)=O)CC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809821 |
