| SpectraBase Spectrum ID |
3sjHzW3ixQG |
| Name |
1,2-Cyclohexanedicarboxylic acid, cyclohexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21-16-11-10-12-17-21/h21-23H,2-20H2,1H3 |
| InChIKey |
HMLMOHNYCAVDPR-UHFFFAOYSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959717 |
