| SpectraBase Spectrum ID |
E3LiJiGVI1b |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)2/h21-24H,3-20H2,1-2H3 |
| InChIKey |
LLXISYREWPSUIU-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970054 |
