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

*Links on SpectraBase are not permalinks.

3-Hexanol, 4-bromo-2,5-dimethyl-, [R-(R*,S*)]-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Hexanol, 4-bromo-2,5-dimethyl-, [R-(R*,S*)]-
SpectraBase Compound ID GqQlvT2gSNu
InChI InChI=1S/C8H17BrO/c1-5(2)7(9)8(10)6(3)4/h5-8,10H,1-4H3/t7-,8-/m1/s1
InChIKey CGORYNACMBQRMK-HTQZYQBOSA-N
Mol Weight 209.13 g/mol
Molecular Formula C8H17BrO
Exact Mass 208.046278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FAJzMXepdqP
Name 3-Hexanol, 4-bromo-2,5-dimethyl-, [R-(R*,S*)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.046278166 u
Formula C8H17BrO
InChI InChI=1S/C8H17BrO/c1-5(2)7(9)8(10)6(3)4/h5-8,10H,1-4H3/t7-,8-/m1/s1
InChIKey CGORYNACMBQRMK-HTQZYQBOSA-N
Molecular Weight 209.127 g/mol
SMILES [C@]([C@@](C(C)C)(O)[H])(Br)(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892194