| SpectraBase Compound ID | 1BEp1qwBY9E |
|---|---|
| InChI | InChI=1S/C13H16INO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | MSRXUEGQXJQJJX-UHFFFAOYSA-N |
| Mol Weight | 345.18 g/mol |
| Molecular Formula | C13H16INO2 |
| Exact Mass | 345.022574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d5qEcakL6X |
|---|---|
| Name | 4-Iodopiperidine-1-carboxylic acid benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.022573757 u |
| Formula | C13H16INO2 |
| InChI | InChI=1S/C13H16INO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | MSRXUEGQXJQJJX-UHFFFAOYSA-N |
| Molecular Weight | 345.180 g/mol |
| SMILES | C(OCC1=CC=CC=C1)(=O)N1CCC(CC1)I |