| SpectraBase Compound ID | LLXApeeqNGb |
|---|---|
| InChI | InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15) |
| InChIKey | DJNCXSGGAMADNN-UHFFFAOYSA-N |
| Mol Weight | 286.17 g/mol |
| Molecular Formula | C12H16BrNO2 |
| Exact Mass | 285.036442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1sVsFCvtA5 |
|---|---|
| Name | N-boc-4-Bromobenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.036441757 u |
| Formula | C12H16BrNO2 |
| InChI | InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15) |
| InChIKey | DJNCXSGGAMADNN-UHFFFAOYSA-N |
| Molecular Weight | 286.169 g/mol |
| SMILES | C(NC(=O)OC(C)(C)C)C=1C=CC(=CC1)Br |