![2,11-Bis(bromomethyl)benzo[c]phenanthrene](/api/spectrum/J1ZWKxDkQ53/structure.png?h=300&w=458 "2,11-Bis(bromomethyl)benzo[c]phenanthrene")
| SpectraBase Compound ID | GC3RcEHjv8d |
|---|---|
| InChI | InChI=1S/C20H14Br2/c21-11-13-1-3-15-5-7-17-8-6-16-4-2-14(12-22)10-19(16)20(17)18(15)9-13/h1-10H,11-12H2 |
| InChIKey | XYEBPKYIJSRIQH-UHFFFAOYSA-N |
| Mol Weight | 414.14 g/mol |
| Molecular Formula | C20H14Br2 |
| Exact Mass | 411.946226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1ZWKxDkQ53 |
|---|---|
| Name | Benzo[C]phenanthrene, 2,11-bis(bromomethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.946226451 u |
| Formula | C20H14Br2 |
| InChI | InChI=1S/C20H14Br2/c21-11-13-1-3-15-5-7-17-8-6-16-4-2-14(12-22)10-19(16)20(17)18(15)9-13/h1-10H,11-12H2 |
| InChIKey | XYEBPKYIJSRIQH-UHFFFAOYSA-N |
| Molecular Weight | 414.140 g/mol |
| SMILES | C(Br)C1=CC=C2C(=C1)C=1C3=CC(CBr)=CC=C3C=CC1C=C2 |