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Anti-methyl 2-ethyl-3-hydroxy-3-phenylbutanoate
SpectraBase Compound ID eb2I9Jz2OI
InChI InChI=1S/C13H18O3/c1-4-11(12(14)16-3)13(2,15)10-8-6-5-7-9-10/h5-9,11,15H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey RYKWIJNMWANWAX-YPMHNXCESA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAOq88mVNsJ
Name Anti-methyl 2-ethyl-3-hydroxy-3-phenylbutanoate
Alternate Name(s) (2S,3R)-methyl 2-ethyl-3-hydroxy-3-phenylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-11(12(14)16-3)13(2,15)10-8-6-5-7-9-10/h5-9,11,15H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey RYKWIJNMWANWAX-YPMHNXCESA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 222.284 g/mol
SMILES O[C@@]([C@](CC)(C(=O)OC)[H])(C)c1ccccc1
SPLASH splash10-05fu-8900000000-f29dbfed1ceeed16d2c5
Source of Spectrum CJC-31-539/SM10-anti_6A
Wiley ID 1772824