| SpectraBase Spectrum ID |
5s8TqbqmT28 |
| Name |
Pimelic acid, di(2-(2-methoxyethyl)hexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.345089260 u |
| Formula |
C25H48O6 |
| InChI |
InChI=1S/C25H48O6/c1-5-7-12-22(16-18-28-3)20-30-24(26)14-10-9-11-15-25(27)31-21-23(13-8-6-2)17-19-29-4/h22-23H,5-21H2,1-4H3 |
| InChIKey |
WVBXPEDPLDLCJD-UHFFFAOYSA-N |
| Molecular Weight |
444.653 g/mol |
| SMILES |
C(OCC(CCOC)CCCC)(=O)CCCCCC(OCC(CCCC)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988635 |
