| SpectraBase Spectrum ID |
IxG3aZfbSID |
| Name |
Succinic acid, cyclohexylmethyl 2-ethylhexyl 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/c1-3-5-9-16(4-2)14-22-18(20)12-13-19(21)23-15-17-10-7-6-8-11-17/h16-17H,3-15H2,1-2H3 |
| InChIKey |
FOTUGDPXPQYWPO-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C1CCC(CC1)COC(=O)CCC(OCC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94949 |
