| SpectraBase Spectrum ID |
Iu6xjn56Ea3 |
| Name |
Glutaric acid, cyclohexylmethyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-16(13-20(2,3)4)14-23-18(21)11-8-12-19(22)24-15-17-9-6-5-7-10-17/h16-17H,5-15H2,1-4H3 |
| InChIKey |
SOZSIQOAKKKNNY-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94837 |
