| SpectraBase Spectrum ID |
IdCd1lu6e0 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.386560150 u |
| Formula |
C28H52O4 |
| InChI |
InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-24(4)23(2)3/h23-26H,5-22H2,1-4H3 |
| InChIKey |
GODPKWBFJFURBF-UHFFFAOYSA-N |
| Molecular Weight |
452.720 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909727 |
