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Threo-2-(Hydroxy-4'-chlorophenylmethyl)-1-phenylbutan-1-one
SpectraBase Compound ID KX0qjJNaMAT
InChI InChI=1S/C17H17ClO2/c1-2-15(16(19)12-6-4-3-5-7-12)17(20)13-8-10-14(18)11-9-13/h3-11,15,17,20H,2H2,1H3/t15-,17+/m0/s1
InChIKey FLBFWVYNVIMVMW-DOTOQJQBSA-N
Mol Weight 288.77 g/mol
Molecular Formula C17H17ClO2
Exact Mass 288.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeSDL5ABSr6
Name Threo-2-(Hydroxy-4'-chlorophenylmethyl)-1-phenylbutan-1-one
Alternate Name(s) (R)-2-((S)-(4-chlorophenyl)(hydroxy)methyl)-1-phenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClO2
InChI InChI=1S/C17H17ClO2/c1-2-15(16(19)12-6-4-3-5-7-12)17(20)13-8-10-14(18)11-9-13/h3-11,15,17,20H,2H2,1H3/t15-,17+/m0/s1
InChIKey FLBFWVYNVIMVMW-DOTOQJQBSA-N
Literature Reference DOI 10.1002_1615-4169(200206)344_3-4_283
Molecular Weight 288.774 g/mol
SMILES O[C@@]([C@](C(c1ccccc1)=O)(CC)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0a5a-1920000000-36f4c5801c20b07140c3
Source of Spectrum ASC-344-286-anti_5e
Wiley ID 1767181