| SpectraBase Spectrum ID |
KX6kfdT0Nv8 |
| Name |
Glutaric acid, 2-(cyclohexyl)ethyl cyclohexylmethyl 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/c21-19(23-15-14-17-8-3-1-4-9-17)12-7-13-20(22)24-16-18-10-5-2-6-11-18/h17-18H,1-16H2 |
| InChIKey |
XRMVSKNQTKFLIG-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OCCC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958831 |
