| SpectraBase Spectrum ID |
89AMK2sPlWQ |
| Name |
1,2-Cyclohexanedicarboxylic acid, methyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)25-22-19-18-21-24(25)26(28)30-2/h24-25H,3-23H2,1-2H3 |
| InChIKey |
JKFILNSENDOUAZ-UHFFFAOYSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960406 |
