| SpectraBase Spectrum ID |
30EpDRBmpCP |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.386560150 u |
| Formula |
C28H52O4 |
| InChI |
InChI=1S/C28H52O4/c1-4-7-9-10-11-12-13-14-15-18-22-31-27(29)25-20-16-17-21-26(25)28(30)32-23-24(6-3)19-8-5-2/h24-26H,4-23H2,1-3H3 |
| InChIKey |
IKEHORXWGIYLPK-UHFFFAOYSA-N |
| Molecular Weight |
452.720 g/mol |
| SMILES |
CCCCCCCCCCCCOC(C1C(C(=O)OCC(CCCC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977805 |
