![17-Bromo-tricyclo[10.2.2.2*4,7*]octadeca-1(15),4(18),5,7(17),12(16),13-hexaene](/api/spectrum/529HRf9UfH0/structure.png?h=300&w=458 "17-Bromo-tricyclo[10.2.2.2*4,7*]octadeca-1(15),4(18),5,7(17),12(16),13-hexaene")
| SpectraBase Compound ID | FKmptBzKxbc |
|---|---|
| InChI | InChI=1S/C18H19Br/c19-18-13-16-10-9-15-7-5-14(6-8-15)3-1-2-4-17(18)12-11-16/h5-8,11-13H,1-4,9-10H2 |
| InChIKey | DCXSMVUSNSODOE-UHFFFAOYSA-N |
| Mol Weight | 315.25 g/mol |
| Molecular Formula | C18H19Br |
| Exact Mass | 314.067014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 529HRf9UfH0 |
|---|---|
| Name | 17-Bromo-tricyclo[10.2.2.2*4,7*]octadeca-1(15),4(18),5,7(17),12(16),13-hexaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.067013612 u |
| Formula | C18H19Br |
| InChI | InChI=1S/C18H19Br/c19-18-13-16-10-9-15-7-5-14(6-8-15)3-1-2-4-17(18)12-11-16/h5-8,11-13H,1-4,9-10H2 |
| InChIKey | DCXSMVUSNSODOE-UHFFFAOYSA-N |
| SMILES | C1(=C2C=CC(=C1)CCC1=CC=C(CCCC2)C=C1)Br |