| SpectraBase Spectrum ID |
FUNrOgoyQcn |
| Name |
Diethylmalonic acid, nonyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-8-11-12-13-14-15-16-17-27-21(25)24(9-2,10-3)22(26)28-19-20(4)18-23(5,6)7/h20H,8-19H2,1-7H3 |
| InChIKey |
YCRWRGMLGWJWCB-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
CCC(C(OCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879529 |
