| SpectraBase Spectrum ID |
EW8tyIkjJSR |
| Name |
Diglycolic acid, di(2-octyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.271924319 u |
| Formula |
C20H38O5 |
| InChI |
InChI=1S/C20H38O5/c1-5-7-9-11-13-17(3)24-19(21)15-23-16-20(22)25-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey |
XCSVHQKODNCZAE-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(COCC(=O)OC(CCCCCC)C)(=O)OC(C)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987514 |
