| SpectraBase Compound ID | HXwSD4f6sCe |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-5-6-7-8-9-15(18)17-13(4)14(12(2)3)10-11-16(17)19/h10-12,19H,5-9H2,1-4H3 |
| InChIKey | FQLCUBTZRKOWEO-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AK2tYefjoeD |
|---|---|
| Name | 6'-Hydroxy-3'-isopropyl-2'-methylheptanophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-5-6-7-8-9-15(18)17-13(4)14(12(2)3)10-11-16(17)19/h10-12,19H,5-9H2,1-4H3 |
| InChIKey | FQLCUBTZRKOWEO-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | OC=1C(=C(C(=CC1)C(C)C)C)C(CCCCCC)=O |