| SpectraBase Spectrum ID |
5FdUXczC59m |
| Name |
1,2-Cyclohexanedicarboxylic acid, cyclobutyl undecyl 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/c1-2-3-4-5-6-7-8-9-12-18-26-22(24)20-16-10-11-17-21(20)23(25)27-19-14-13-15-19/h19-21H,2-18H2,1H3 |
| InChIKey |
SNAHYTJYRQWBEV-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OC1CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946948 |
