| SpectraBase Compound ID | 62ZXkVpYFBS |
|---|---|
| InChI | InChI=1S/C15H18BrNO3/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17/h4-7,13H,1-3,8-10H2,(H,19,20) |
| InChIKey | YPDREQQORRSQOQ-UHFFFAOYSA-N |
| Mol Weight | 340.22 g/mol |
| Molecular Formula | C15H18BrNO3 |
| Exact Mass | 339.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Q4pDR1me3h |
|---|---|
| Name | 4-(4-Bromophenyl)-4-oxo-2-(1-piperidinyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.047006441 u |
| Formula | C15H18BrNO3 |
| InChI | InChI=1S/C15H18BrNO3/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17/h4-7,13H,1-3,8-10H2,(H,19,20) |
| InChIKey | YPDREQQORRSQOQ-UHFFFAOYSA-N |
| Molecular Weight | 340.217 g/mol |
| SMILES | C(C(N1CCCCC1)C(=O)O)C(C=1C=CC(=CC1)Br)=O |