| SpectraBase Spectrum ID |
8j0w89mcGWf |
| Name |
Diethylmalonic acid, di(3,7-dimethyloctyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-9-27(10-2,25(28)30-19-17-23(7)15-11-13-21(3)4)26(29)31-20-18-24(8)16-12-14-22(5)6/h21-24H,9-20H2,1-8H3 |
| InChIKey |
ZJMXNGWBWASFJE-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
CCC(C(OCCC(C)CCCC(C)C)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809957 |
