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Anti-methyl 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoate
SpectraBase Compound ID CBw84wVwaVx
InChI InChI=1S/C12H15ClO3/c1-8(11(14)16-3)12(2,15)9-4-6-10(13)7-5-9/h4-8,15H,1-3H3/t8-,12-/m1/s1
InChIKey XVMBEHWTXLXBNU-PRHODGIISA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fznZCqwSnr
Name Anti-methyl 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoate
Alternate Name(s) (2S,3R)-methyl 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-8(11(14)16-3)12(2,15)9-4-6-10(13)7-5-9/h4-8,15H,1-3H3/t8-,12-/m1/s1
InChIKey XVMBEHWTXLXBNU-PRHODGIISA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 242.702 g/mol
SMILES O[C@@]([C@@](C(=O)OC)(C)[H])(C)c1ccc(cc1)Cl
SPLASH splash10-0a4i-3920000000-09c78b2fab068fbf1011
Source of Spectrum CJC-31-539/SM7-anti_3B
Wiley ID 1772819