| SpectraBase Spectrum ID |
D0Mi105cTLz |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h20-23H,5-19H2,1-4H3 |
| InChIKey |
XPAHPUCHQKQVJT-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923779 |
