| SpectraBase Spectrum ID |
Fu3zvjMKjaj |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl undecyl 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/c1-7-10-11-12-13-14-15-16-17-22-31-26(29)28(8-2,9-3)27(30)32-23-21-25(6)20-18-19-24(4)5/h24-25H,7-23H2,1-6H3 |
| InChIKey |
NQOQBWJIYBPYJD-UHFFFAOYSA-N |
| Molecular Weight |
454.736 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839459 |
