| SpectraBase Spectrum ID |
HkZqYfUX51d |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.433510344 u |
| Formula |
C31H58O4 |
| InChI |
InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-27(4)26(2)3/h26-29H,5-25H2,1-4H3 |
| InChIKey |
GSTYJNGWJWKTLP-UHFFFAOYSA-N |
| Molecular Weight |
494.801 g/mol |
| SMILES |
C1CCCC(C1C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939195 |
