| SpectraBase Spectrum ID |
HmfwifQUhgY |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl nonyl 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/c1-4-5-6-7-8-9-12-15-28-24(26)22-13-10-11-14-23(22)25(27)29-21-17-19(2)16-20(3)18-21/h19-23H,4-18H2,1-3H3 |
| InChIKey |
QUDRMGFSMXKFSN-UHFFFAOYSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C1C(CC(CC1C)C)OC(C1CCCCC1C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959445 |
