| SpectraBase Spectrum ID |
HXIU3vET7vy |
| Name |
Glutaric acid, butyl 6-ethyloct-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-5-9-15-22-18(20)11-10-12-19(21)23-17(8-4)14-13-16(6-2)7-3/h16-17H,5-15H2,1-4H3 |
| InChIKey |
XGVKPTXQUIFMJH-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(C(OC(=O)CCCC(OCCCC)=O)CCC(CC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955954 |
