| SpectraBase Spectrum ID |
DOuCE3lTGTJ |
| Name |
Succinic acid, 2-ethylhexyl (2-methylcyclohex-1-en-1-yl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-4-6-10-17(5-2)14-23-19(21)12-13-20(22)24-15-18-11-8-7-9-16(18)3/h17H,4-15H2,1-3H3 |
| InChIKey |
HCZTZWNTDLIZQI-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.993785 |
