| SpectraBase Compound ID | DxDTy9w4TTS |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-7-12(4)19-14(17)10-16(6,9-3)11-15(18)20-13(5)8-2/h12-13H,7-11H2,1-6H3 |
| InChIKey | NQBKJWNKHYLRNO-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 | C4ZJa5Sf1zv |
|---|---|
| Name | Pentanedioic acid, 3-ethyl-3-methyl-, bis(1-methylpropyl) 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/c1-7-12(4)19-14(17)10-16(6,9-3)11-15(18)20-13(5)8-2/h12-13H,7-11H2,1-6H3 |
| InChIKey | NQBKJWNKHYLRNO-UHFFFAOYSA-N |
| SMILES | C(C(CC(OC(CC)C)=O)(CC)C)C(OC(CC)C)=O |