| SpectraBase Compound ID | ADSTCN8cF70 |
|---|---|
| InChI | InChI=1S/C21H24O2/c1-2-3-14-21(19(22)12-7-13-20(21)23)15-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11H,2-3,7,12-15H2,1H3 |
| InChIKey | CBKHDGQRBAFZRY-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C21H24O2 |
| Exact Mass | 308.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9mTNdu27fB |
|---|---|
| Name | 2-Butyl-2-(1-naphthylmethyl)-1,3-cyclohexanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.177630011 u |
| Formula | C21H24O2 |
| InChI | InChI=1S/C21H24O2/c1-2-3-14-21(19(22)12-7-13-20(21)23)15-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11H,2-3,7,12-15H2,1H3 |
| InChIKey | CBKHDGQRBAFZRY-UHFFFAOYSA-N |
| Molecular Weight | 308.421 g/mol |
| SMILES | C1C(C(C(CC1)=O)(CCCC)CC=1C=2C=CC=CC2C=CC1)=O |