| SpectraBase Spectrum ID |
JTnguma6u3K |
| Name |
1,2-Cyclohexanedicarboxylic acid, isobutyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.417860279 u |
| Formula |
C30H56O4 |
| InChI |
InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)27-22-19-20-23-28(27)30(32)34-25-26(2)3/h26-28H,4-25H2,1-3H3 |
| InChIKey |
GQOBGYRNIKOTCX-UHFFFAOYSA-N |
| Molecular Weight |
480.774 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCCCCCCCCC)=O)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954833 |
