| SpectraBase Compound ID | EHTJ6bym8KI |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-17(2,3)14(12-15(19)18(4,5)6)16(20)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3 |
| InChIKey | HJEPIXWXGVWJPI-UHFFFAOYSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C18H26O2 |
| Exact Mass | 274.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ETWoH3j4gB |
|---|---|
| Name | 2-Tert-butyl-5,5-dimethyl-1-phenyl-1,4-hexanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.193280075 u |
| Formula | C18H26O2 |
| InChI | InChI=1S/C18H26O2/c1-17(2,3)14(12-15(19)18(4,5)6)16(20)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3 |
| InChIKey | HJEPIXWXGVWJPI-UHFFFAOYSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | C(C(=O)C=1C=CC=CC1)(CC(C(C)(C)C)=O)C(C)(C)C |