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Benzeneethanol, 4-bromo-.alpha.,.beta.-dimethyl-, (R*,S*)-
SpectraBase Compound ID DCDjQ8RXzRX
InChI InChI=1S/C10H13BrO/c1-7(8(2)12)9-3-5-10(11)6-4-9/h3-8,12H,1-2H3/t7-,8-/m1/s1
InChIKey LCBVCKRLEQOMFE-HTQZYQBOSA-N
Mol Weight 229.12 g/mol
Molecular Formula C10H13BrO
Exact Mass 228.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd6wFv72eTt
Name Benzeneethanol, 4-bromo-.alpha.,.beta.-dimethyl-, (R*,S*)-
CAS Registry Number 98815-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13BrO
InChI InChI=1S/C10H13BrO/c1-7(8(2)12)9-3-5-10(11)6-4-9/h3-8,12H,1-2H3/t7-,8-/m1/s1
InChIKey LCBVCKRLEQOMFE-HTQZYQBOSA-N
Molecular Weight 229.117 g/mol
SMILES O[C@@]([C@](c1ccc(cc1)Br)(C)[H])(C)[H]
SPLASH splash10-001r-0900000000-c068e0b0ade9cef73123
Source of Spectrum KC-1985-1378-33
Synonyms (2R,3S)-3-(4-bromophenyl)-2-butanol Threo-3-(4-bromophenyl)butan-2-ol
Wiley ID 1229238