| SpectraBase Spectrum ID |
3vNhUugOZx2 |
| Name |
Glutaric acid, isobutyl 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 |
344.256274254 u |
| Formula |
C19H36O5 |
| InChI |
InChI=1S/C19H36O5/c1-5-6-7-9-17(12-13-22-4)15-24-19(21)11-8-10-18(20)23-14-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey |
LQPQHHHCENOCAR-UHFFFAOYSA-N |
| Molecular Weight |
344.492 g/mol |
| SMILES |
CC(C)COC(CCCC(OCC(CCCCC)CCOC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883532 |
