| SpectraBase Spectrum ID |
JddZp6Bn5zR |
| Name |
Diethylmalonic acid, decyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-6-10-12-14-15-16-17-19-21-28-23(26)25(8-3,9-4)24(27)29-22(5)20-18-13-11-7-2/h22H,6-21H2,1-5H3 |
| InChIKey |
XSBJABHZUNPEGH-UHFFFAOYSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931728 |
