| SpectraBase Spectrum ID |
BrwOD8cRVLS |
| Name |
Sebacic acid, 2,4-dimethylpent-3-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-15-23-18(21)13-11-9-7-8-10-12-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3 |
| InChIKey |
UVGKBFPMQWWZAV-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955668 |
