| SpectraBase Compound ID | 37MLKjAoD6 |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-5-6-9(13)7-10(14)8-11(15)16-12(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+ |
| InChIKey | HSNBRUYPEUWQLH-AATRIKPKSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46DLvwU51MI |
|---|---|
| Name | Tert-butyl (6E)-3,5-dioxo-6-octenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-5-6-9(13)7-10(14)8-11(15)16-12(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+ |
| InChIKey | HSNBRUYPEUWQLH-AATRIKPKSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(CC(CC(\C=C\C)=O)=O)(OC(C)(C)C)=O |