SpectraBase Spectrum ID |
1gEFRxMYzQL |
Name |
Cyclohexanecarboxylic acid, 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22/h22H,2-21H2,1H3 |
InChIKey |
MIMWFRLYZWESAJ-UHFFFAOYSA-N |
Molecular Weight |
352.603 g/mol |
SMILES |
CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937412 |