| SpectraBase Compound ID | LAq6Bd8yD3U |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3 |
| InChIKey | FPBJKPITUGVFRM-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWZ6y5bCyyC |
|---|---|
| Name | 3-(4-(Tert-butyl)phenyl)-2-methylpropan-1-ol, o-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3 |
| InChIKey | FPBJKPITUGVFRM-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | CC(=O)OCC(C)CC1=CC=C(C(C)(C)C)C=C1 |