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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWlSFVN9IdL
Name 3-Hexanol, 4-bromo-2,5-dimethyl-, [R-(R*,S*)]-
CAS Registry Number 123125-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]([C@](Br)(C(C)C)[H])(C(C)C)[H]
SPLASH splash10-000i-0900000000-e48fde85f5e2d73cd8a2
Source of Spectrum J-54-4968-8
Synonyms (3R,4R)-4-bromo-2,5-dimethyl-3-hexanol
Wiley ID 1206254