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2-Butanone, 4-(4-chlorophenyl)-4-hydroxy-3-methyl-, (R*,S*)-
SpectraBase Compound ID 96y6yyhZT99
InChI InChI=1S/C11H13ClO2/c1-7(8(2)13)11(14)9-3-5-10(12)6-4-9/h3-7,11,14H,1-2H3/t7-,11-/m1/s1
InChIKey DBWKIUGPJWKPQM-RDDDGLTNSA-N
Mol Weight 212.68 g/mol
Molecular Formula C11H13ClO2
Exact Mass 212.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuwioHiKzvL
Name 2-Butanone, 4-(4-chlorophenyl)-4-hydroxy-3-methyl-, (R*,S*)-
Alternate Name(s) (3S,4R)-4-(4-chlorophenyl)-4-hydroxy-3-methyl-2-butanone Threo-4-(4-chlorophenyl)-4-hydroxy-3-methylbutan-2-one
CAS Registry Number 119751-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13ClO2
InChI InChI=1S/C11H13ClO2/c1-7(8(2)13)11(14)9-3-5-10(12)6-4-9/h3-7,11,14H,1-2H3/t7-,11-/m1/s1
InChIKey DBWKIUGPJWKPQM-RDDDGLTNSA-N
Molecular Weight 212.676 g/mol
SMILES O[C@]([C@@](C(=O)C)(C)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0007-5900000000-efe3fb82ed8a24f6b284
Source of Spectrum KC-1988-2858-3
Wiley ID 1211128