| SpectraBase Spectrum ID |
8BgFjyS0lVo |
| Name |
Glutaric acid, 2-ethylhexyl cis-4-tert-butylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-6-8-10-18(7-2)17-26-21(24)11-9-12-22(25)27-20-15-13-19(14-16-20)23(3,4)5/h18-20H,6-17H2,1-5H3 |
| InChIKey |
LPHMDBAIUWSUBJ-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(CCC(OCC(CCCC)CC)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936324 |
