| SpectraBase Compound ID | 7AXnmpOd9S5 |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-18-13(16)8-7-9-14(17)19-11-12(2)10-15(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | UMMPKDWMCPCAES-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8upA9Q7m4JQ |
|---|---|
| Name | Glutaric acid, ethyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-6-18-13(16)8-7-9-14(17)19-11-12(2)10-15(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | UMMPKDWMCPCAES-UHFFFAOYSA-N |
| SMILES | C(OCC(CC(C)(C)C)C)(=O)CCCC(OCC)=O |