| SpectraBase Spectrum ID |
KxxoJsuBQNA |
| Name |
Glutaric acid, isohexyl 2-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.287574383 u |
| Formula |
C21H40O5 |
| InChI |
InChI=1S/C21H40O5/c1-5-6-7-11-19(14-16-24-4)17-26-21(23)13-8-12-20(22)25-15-9-10-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey |
BOFSAKKNUFPWPD-UHFFFAOYSA-N |
| Molecular Weight |
372.546 g/mol |
| SMILES |
CC(C)CCCOC(CCCC(OCC(CCCCC)CCOC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846779 |
