| SpectraBase Spectrum ID |
JxlVEU962HO |
| Name |
1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.318874512 u |
| Formula |
C24H44O5 |
| InChI |
InChI=1S/C24H44O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h20-22H,4-19H2,1-3H3 |
| InChIKey |
DYGUYTBAAFXSKJ-UHFFFAOYSA-N |
| Molecular Weight |
412.611 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCC)=O)(=O)OCCC(C)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914183 |
