For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane

View entire compound with spectra: 1 NMR

1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane
SpectraBase Compound ID 1NxRlPPmDLO
InChI InChI=1S/C22H22Br2/c23-20-7-3-18(4-8-20)17-1-5-19(6-2-17)21-10-15-9-16(11-21)13-22(24,12-15)14-21/h1-8,15-16H,9-14H2/t15-,16+,21+,22-
InChIKey TZAWSZKIXCNRET-WGKKAQPQSA-N
Mol Weight 446.23 g/mol
Molecular Formula C22H22Br2
Exact Mass 444.008827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6yjcqaKCaYr
Name 1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.008826708 u
Formula C22H22Br2
InChI InChI=1S/C22H22Br2/c23-20-7-3-18(4-8-20)17-1-5-19(6-2-17)21-10-15-9-16(11-21)13-22(24,12-15)14-21/h1-8,15-16H,9-14H2/t15-,16+,21+,22-
InChIKey TZAWSZKIXCNRET-WGKKAQPQSA-N
Molecular Weight 446.226 g/mol
SMILES [C@]12(C[C@]3(Br)C[C@](C2)(C[C@](C1)(C3)[H])[H])C=1C=CC(=CC1)C1=CC=C(C=C1)Br