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

*Links on SpectraBase are not permalinks.

1,1'-bis[3-Bromoadamantane]

View entire compound with spectra: 1 FTIR, and 1 Raman

1,1'-bis[3-Bromoadamantane]
SpectraBase Compound ID 2HrsU9bqcON
InChI InChI=1S/C20H28Br2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12H2/t13-,14+,15-,16+,17+,18+,19-,20-
InChIKey FSPYCPSJFWEANU-HOCNISKTSA-N
Mol Weight 428.25 g/mol
Molecular Formula C20H28Br2
Exact Mass 426.055777 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID A1kuVcQuIpY
Name 1,1'-bis[3-Bromoadamantane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.055776902 u
Formula C20H28Br2
InChI InChI=1S/C20H28Br2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12H2/t13-,14+,15-,16+,17+,18+,19-,20-
InChIKey FSPYCPSJFWEANU-HOCNISKTSA-N
Molecular Weight 428.252 g/mol
SMILES C1[C@@]2(C[C@]3(C[C@]1(C[C@](C3)(C2)Br)[H])[C@]12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)Br)[H])[H])[H]
Spectrum/Structure Validation Score (Raman) 0.945279