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Anti-methyl 3-(4-chlorophenyl)-2-ethyl-3-hydroxybutanoate
SpectraBase Compound ID GKsfuOCbuks
InChI InChI=1S/C13H17ClO3/c1-4-11(12(15)17-3)13(2,16)9-5-7-10(14)8-6-9/h5-8,11,16H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey LLYOYVFYGKGNTF-YPMHNXCESA-N
Mol Weight 256.73 g/mol
Molecular Formula C13H17ClO3
Exact Mass 256.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LHOwHej9sl
Name Anti-methyl 3-(4-chlorophenyl)-2-ethyl-3-hydroxybutanoate
Alternate Name(s) (2S,3R)-methyl 3-(4-chlorophenyl)-2-ethyl-3-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO3
InChI InChI=1S/C13H17ClO3/c1-4-11(12(15)17-3)13(2,16)9-5-7-10(14)8-6-9/h5-8,11,16H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey LLYOYVFYGKGNTF-YPMHNXCESA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 256.729 g/mol
SMILES O[C@@](C)(c1ccc(cc1)Cl)[C@](CC)(C(=O)OC)[H]
SPLASH splash10-0a4i-2900000000-1c02974ca46720eb684f
Source of Spectrum CJC-31-539/SM10-anti_6B
Wiley ID 1772825