| SpectraBase Compound ID | LUqxqwOyPiN |
|---|---|
| InChI | InChI=1S/C13H20O6/c1-13(2,3)19-10(14)8-6-7-9(11(15)17-4)12(16)18-5/h6,8-9H,7H2,1-5H3/b8-6+ |
| InChIKey | KZBQUMZAJRKDIJ-SOFGYWHQSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C13H20O6 |
| Exact Mass | 272.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RlJxP4m117 |
|---|---|
| Name | (E)-1,1-Dimethyl-4-tert-butyl-but-3-ene-1,1,4-tricarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.125988358 u |
| Formula | C13H20O6 |
| InChI | InChI=1S/C13H20O6/c1-13(2,3)19-10(14)8-6-7-9(11(15)17-4)12(16)18-5/h6,8-9H,7H2,1-5H3/b8-6+ |
| InChIKey | KZBQUMZAJRKDIJ-SOFGYWHQSA-N |
| Molecular Weight | 272.297 g/mol |
| SMILES | C(C(C\C=C\C(OC(C)(C)C)=O)C(=O)OC)(=O)OC |