| SpectraBase Spectrum ID |
K6Rwgr3w51S |
| Name |
1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-4-7-9-10-11-12-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21(16-6-3)17-8-5-2/h21-23H,4-20H2,1-3H3 |
| InChIKey |
FTSDQWVKKDXGDR-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
CCCCCCCCCOC(C1C(C(=O)OC(CCCC)CCC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975785 |
