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3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one
SpectraBase Compound ID 5o87ycyscGt
InChI InChI=1S/C17H17ClO2/c1-11-3-5-13(6-4-11)16(19)12(2)17(20)14-7-9-15(18)10-8-14/h3-10,12,17,20H,1-2H3/t12-,17+/m1/s1
InChIKey YUVXPHMMMCONGA-PXAZEXFGSA-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 4bQJSzQ3qsJ
Name 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one
Alternate Name(s) (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-(p-tolyl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClO2
InChI InChI=1S/C17H17ClO2/c1-11-3-5-13(6-4-11)16(19)12(2)17(20)14-7-9-15(18)10-8-14/h3-10,12,17,20H,1-2H3/t12-,17+/m1/s1
InChIKey YUVXPHMMMCONGA-PXAZEXFGSA-N
Literature Reference DOI 10.1021/jo100275q
Molecular Weight 288.774 g/mol
SMILES O[C@](c1ccc(cc1)Cl)([C@@](C(c1ccc(cc1)C)=O)(C)[H])[H]
SPLASH splash10-014j-2900000000-6dbe722c6f4089433364
Source of Spectrum J-75-4716/SMS51-28
Wiley ID 1751555