| SpectraBase Compound ID | Hf88mwN7sSq |
|---|---|
| InChI | InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10-,11+,12-,13+,16- |
| InChIKey | LWJALJDRFBXHKX-UHFFFAOYSA-N |
| Mol Weight | 306.25 g/mol |
| Molecular Formula | C16H20BrN |
| Exact Mass | 305.077913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CN2vRXCuBgi |
|---|---|
| Name | Bromantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.077912648 u |
| Formula | C16H20BrN |
| InChI | InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2 |
| InChIKey | LWJALJDRFBXHKX-UHFFFAOYSA-N |
| Molecular Weight | 306.247 g/mol |
| SMILES | C1([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])NC=1C=CC(=CC1)Br |