| SpectraBase Spectrum ID |
3BtO5XV9YFt |
| Name |
Glutaric acid, heptyl 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 |
414.334524576 u |
| Formula |
C24H46O5 |
| InChI |
InChI=1S/C24H46O5/c1-4-6-8-10-12-19-28-23(25)15-13-16-24(26)29-21-18-22(17-20-27-3)14-11-9-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
MXFCYCOFCMNKQP-UHFFFAOYSA-N |
| Molecular Weight |
414.627 g/mol |
| SMILES |
CCCCCCCOC(CCCC(OCCC(CCOC)CCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868577 |
