| SpectraBase Spectrum ID |
62yXCJAMmS8 |
| Name |
Cyclohexanecarboxylic acid, 4-hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.334130655 u |
| Formula |
C23H44O2 |
| InChI |
InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-16-20-22(17-4-2)25-23(24)21-18-14-13-15-19-21/h21-22H,3-20H2,1-2H3 |
| InChIKey |
OCESPEIAGJQGBN-UHFFFAOYSA-N |
| Molecular Weight |
352.603 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863697 |
