| SpectraBase Compound ID | EhOmVB86p6L |
|---|---|
| InChI | InChI=1S/C17H17BrO2/c1-17(2,3)12-7-8-15(19)14(10-12)16(20)11-5-4-6-13(18)9-11/h4-10,19H,1-3H3 |
| InChIKey | XRXSPLGGVPWNOH-UHFFFAOYSA-N |
| Mol Weight | 333.23 g/mol |
| Molecular Formula | C17H17BrO2 |
| Exact Mass | 332.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aivU2NSMQ3 |
|---|---|
| Name | 3'-Bromo-5-tert-butyl-2-hydroxybenzophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.041192785 u |
| Formula | C17H17BrO2 |
| InChI | InChI=1S/C17H17BrO2/c1-17(2,3)12-7-8-15(19)14(10-12)16(20)11-5-4-6-13(18)9-11/h4-10,19H,1-3H3 |
| InChIKey | XRXSPLGGVPWNOH-UHFFFAOYSA-N |
| Molecular Weight | 333.225 g/mol |
| SMILES | OC1=C(C=C(C=C1)C(C)(C)C)C(C=1C=C(Br)C=CC1)=O |