| SpectraBase Spectrum ID |
KGXXoMLWOVZ |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-21(4)20(2)3/h20-23H,5-19H2,1-4H3 |
| InChIKey |
TWEAAHOWYWKMMF-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
CCCCCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923498 |
