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3-Bromo-1-adamantanemethanol

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

3-Bromo-1-adamantanemethanol
SpectraBase Compound ID LLqkpfKSZCa
InChI InChI=1S/C11H17BrO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7H2/t8-,9+,10+,11-
InChIKey JZJOEXRURZNLIA-CKIJPRSSSA-N
Mol Weight 245.16 g/mol
Molecular Formula C11H17BrO
Exact Mass 244.046278 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CCJTZ5lHHT0
Name 3-Bromo-1-adamantanemethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.046278166 u
Formula C11H17BrO
InChI InChI=1S/C11H17BrO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7H2/t8-,9+,10+,11-
InChIKey JZJOEXRURZNLIA-CKIJPRSSSA-N
Molecular Weight 245.160 g/mol
SMILES OC[C@]12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])Br)[H]
Spectrum/Structure Validation Score (Raman) 0.84767