| SpectraBase Compound ID | EPzuHJIvA7c |
|---|---|
| InChI | InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3 |
| InChIKey | UEOHLUHRQWYQRT-UHFFFAOYSA-N |
| Mol Weight | 340.26 g/mol |
| Molecular Formula | C16H22BrNO2 |
| Exact Mass | 339.083392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ha3QhxuqGhc |
|---|---|
| Name | 1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.083391950 u |
| Formula | C16H22BrNO2 |
| InChI | InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3 |
| InChIKey | UEOHLUHRQWYQRT-UHFFFAOYSA-N |
| Molecular Weight | 340.261 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C |