| SpectraBase Compound ID | GsGf7UV2ee5 |
|---|---|
| InChI | InChI=1S/C12H20O/c1-11(2,3)9-6-10(13)8-12(4,5)7-9/h6H,7-8H2,1-5H3 |
| InChIKey | FQSHMYSPISRJSG-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cf4TBTybdcG |
|---|---|
| Name | 3-Tert-butyl-5,5-dimethyl-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-11(2,3)9-6-10(13)8-12(4,5)7-9/h6H,7-8H2,1-5H3 |
| InChIKey | FQSHMYSPISRJSG-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(C=C(CC(C1)(C)C)C(C)(C)C)=O |