| SpectraBase Spectrum ID |
7KEjDcmDlff |
| Name |
Glutaric acid, 2-(cyclohexyl)ethyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-3-5-10-18(4-2)17-25-21(23)14-9-13-20(22)24-16-15-19-11-7-6-8-12-19/h18-19H,3-17H2,1-2H3 |
| InChIKey |
DQELQRMATBEGHL-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9554 |
