| SpectraBase Spectrum ID |
GhsY6rH9fqo |
| Name |
Glutaric acid, isobutyl 3-(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/c1-5-6-8-17(11-13-22-4)12-14-23-18(20)9-7-10-19(21)24-15-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey |
ZWTAYHZSXCXSBP-UHFFFAOYSA-N |
| Molecular Weight |
344.492 g/mol |
| SMILES |
CC(C)COC(CCCC(OCCC(CCOC)CCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847379 |
