| SpectraBase Spectrum ID |
EhdoU55Qmbt |
| Name |
Dimethyl 9-oxooctadecanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.256274254 u |
| Formula |
C20H36O5 |
| InChI |
InChI=1S/C20H36O5/c1-24-19(22)16-12-8-4-3-6-10-14-18(21)15-11-7-5-9-13-17-20(23)25-2/h3-17H2,1-2H3 |
| InChIKey |
YIBUWROXNQTGBK-UHFFFAOYSA-N |
| Molecular Weight |
356.503 g/mol |
| SMILES |
C(CCCCCC(=O)CCCCCCCC(OC)=O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93933 |
