| SpectraBase Spectrum ID |
FtIRZTiyLc8 |
| Name |
Adipic acid, cis-non-3-enyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-5-6-7-8-9-12-15-22-18(20)13-10-11-14-19(21)23-16-17(2)3/h8-9,17H,4-7,10-16H2,1-3H3/b9-8- |
| InChIKey |
OWGUKJPNAXOSDA-HJWRWDBZSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCC(OCC\C=C/CCCCC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85951 |
