| SpectraBase Spectrum ID |
BtaOe2w77XX |
| Name |
Diethylmalonic acid, butyl decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-5-9-11-12-13-14-15-16-18-25-20(23)21(7-3,8-4)19(22)24-17-10-6-2/h5-18H2,1-4H3 |
| InChIKey |
OUPNJIGWKUUOMU-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
CCC(C(OCCCC)=O)(C(OCCCCCCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874369 |
