| SpectraBase Spectrum ID |
JfVYr2G9gs9 |
| Name |
Glutaric acid, 2-decyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-4-6-8-10-12-13-14-16-18-23-29-25(27)21-19-22-26(28)30-24(3)20-17-15-11-9-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey |
PXDKIIHNTJBHDG-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841149 |
