| SpectraBase Spectrum ID |
5vjdXqmkS8L |
| Name |
1,2-Cyclohexanedicarboxylic acid, allyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-4-2/h4,19-20H,2-3,5-18H2,1H3 |
| InChIKey |
VNCZFWBAAZCFMH-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCC)=O)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944177 |
