| SpectraBase Spectrum ID |
49OcYd8G4Gn |
| Name |
1,2-Cyclohexanedicarboxylic acid, methyl undecyl 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/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey |
HOIFJWNIHQLTEH-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947728 |
