| SpectraBase Compound ID | L1qeteZLZai |
|---|---|
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3 |
| InChIKey | SQFRYZPEWOZAKJ-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfJwJCz0VxJ |
|---|---|
| Name | 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3 |
| InChIKey | SQFRYZPEWOZAKJ-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C=1C(C)=C(CCC(C)=O)C(CC1)(C)C |