| SpectraBase Spectrum ID |
5tq13fbuVR8 |
| Name |
Diethylmalonic acid, decyl 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/c1-7-10-11-12-13-14-15-16-21-30-25(28)27(8-2,9-3)26(29)31-22-20-24(6)19-17-18-23(4)5/h23-24H,7-22H2,1-6H3 |
| InChIKey |
BFANIPOQZGCUCF-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912188 |
