| SpectraBase Spectrum ID |
8MB8rxWrRUA |
| Name |
1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.350174641 u |
| Formula |
C26H48O5 |
| InChI |
InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-14-19-30-25(27)23-15-12-13-16-24(23)26(28)31-21-18-22(2)17-20-29-3/h22-24H,4-21H2,1-3H3 |
| InChIKey |
WHCYEAZBSAJJNU-UHFFFAOYSA-N |
| Molecular Weight |
440.665 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O)CC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930006 |
