| SpectraBase Compound ID | D1PAbmdmlha |
|---|---|
| InChI | InChI=1S/C12H17ClO2/c1-8-5-6-11(15-8)12(3,4)7-10(14)9(2)13/h5-6,9H,7H2,1-4H3 |
| InChIKey | KIUQEPMASDSJJR-UHFFFAOYSA-N |
| Mol Weight | 228.72 g/mol |
| Molecular Formula | C12H17ClO2 |
| Exact Mass | 228.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba7TXLCICrg |
|---|---|
| Name | 3-Hexanone, 2-chloro-5-methyl-5-(5-methyl-2-furanyl)-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.091707485 u |
| Formula | C12H17ClO2 |
| InChI | InChI=1S/C12H17ClO2/c1-8-5-6-11(15-8)12(3,4)7-10(14)9(2)13/h5-6,9H,7H2,1-4H3 |
| InChIKey | KIUQEPMASDSJJR-UHFFFAOYSA-N |
| Molecular Weight | 228.719 g/mol |
| SMILES | C=1(OC(C)=CC1)C(CC(=O)C(Cl)C)(C)C |