| SpectraBase Compound ID | 9YUsAour2ja |
|---|---|
| InChI | InChI=1S/C14H22BrN/c1-2-3-4-8-13(16)11-10-12-7-5-6-9-14(12)15/h5-7,9,13H,2-4,8,10-11,16H2,1H3/t13-/m1/s1 |
| InChIKey | DSYJOEAHBWZOKY-CYBMUJFWSA-N |
| Mol Weight | 284.24 g/mol |
| Molecular Formula | C14H22BrN |
| Exact Mass | 283.093563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ULkM1Nw4Yw |
|---|---|
| Name | (3R)-1-(2-Bromophenyl)octan-3-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.093562712 u |
| Formula | C14H22BrN |
| InChI | InChI=1S/C14H22BrN/c1-2-3-4-8-13(16)11-10-12-7-5-6-9-14(12)15/h5-7,9,13H,2-4,8,10-11,16H2,1H3/t13-/m1/s1 |
| InChIKey | DSYJOEAHBWZOKY-CYBMUJFWSA-N |
| SMILES | C=1C=C(CC[C@@](CCCCC)(N)[H])C(Br)=CC1 |