| SpectraBase Spectrum ID |
FTsBrE5mbna |
| Name |
Glutaric acid, hexyl 3-(2-methoxyethyl)nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-4-6-8-10-13-21(16-19-26-3)17-20-28-23(25)15-12-14-22(24)27-18-11-9-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
GCDNDWFYIHVYSR-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
CCCCCCOC(CCCC(OCCC(CCOC)CCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918536 |
