| SpectraBase Spectrum ID |
9qKX2mnEJ5K |
| Name |
1,2-Cyclohexanedicarboxylic acid, allyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-4-2/h4,20-21H,2-3,5-19H2,1H3 |
| InChIKey |
WIGNXGQJIPTUFK-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCC)=O)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948566 |
