SpectraBase Spectrum ID |
1w99MK0C9lS |
Name |
Malonic acid, 2-decyl tridecyl 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/c1-4-6-8-10-12-13-14-15-16-18-20-22-29-25(27)23-26(28)30-24(3)21-19-17-11-9-7-5-2/h24H,4-23H2,1-3H3 |
InChIKey |
ZLPCSDRXMVKEHG-UHFFFAOYSA-N |
Molecular Weight |
426.682 g/mol |
SMILES |
C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908698 |