| SpectraBase Spectrum ID |
3WH30y3rj3 |
| Name |
1,2-Cyclohexanedicarboxylic acid, isobutyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(2)3/h19-21H,4-18H2,1-3H3 |
| InChIKey |
KFFISQLLHSGQKG-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949275 |
