| SpectraBase Spectrum ID |
3CHD01UmSUN |
| Name |
Succinic acid, dec-2-yl cis-hex-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h9,13,18H,4-8,10-12,14-17H2,1-3H3/b13-9- |
| InChIKey |
BXOLVHPBZSKMHV-LCYFTJDESA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OC\C=C/CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863934 |
