| SpectraBase Compound ID | 5QTK7UvBCLr |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-4-9-16-12(14)6-5-7-13(15)17-10-8-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey | OTENLYDMWSKDCE-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7f03R74UPTq |
|---|---|
| Name | Glutaric acid, 3-methylbutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-4-9-16-12(14)6-5-7-13(15)17-10-8-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey | OTENLYDMWSKDCE-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CCCOC(CCCC(OCCC(C)C)=O)=O |