| SpectraBase Compound ID | LIKr1IbG08k |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-6-7-8-12-19-14(17)10-9-11-15(18)20-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | BFYUMWDJIJPPKZ-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Wj6CYWP4Cv |
|---|---|
| Name | Glutaric acid, hexyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-6-7-8-12-19-14(17)10-9-11-15(18)20-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | BFYUMWDJIJPPKZ-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(CCCC(OCC(C)(C)C)=O)=O |