| SpectraBase Spectrum ID |
GkYZxFBi9Wo |
| Name |
Diethylmalonic acid, 2-octyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.402210215 u |
| Formula |
C28H54O4 |
| InChI |
InChI=1S/C28H54O4/c1-6-10-12-14-15-16-17-18-19-20-22-24-31-26(29)28(8-3,9-4)27(30)32-25(5)23-21-13-11-7-2/h25H,6-24H2,1-5H3 |
| InChIKey |
WBRFBYYIGPRICL-UHFFFAOYSA-N |
| Molecular Weight |
454.736 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833794 |
