| SpectraBase Spectrum ID |
FQ73TkyERML |
| Name |
Glutaric acid, 3-methylbut-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-5-9-16-12(14)7-6-8-13(15)17-11(4)10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey |
UHLZJUDQBKJIBP-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
CC(OC(CCCC(OCCC)=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868533 |
