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Syn-methyl 2-ethyl-3-hydroxy-3-phenylbutanoate
SpectraBase Compound ID CIKywCb3U6V
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-/m0/s1
InChIKey RYKWIJNMWANWAX-AAEUAGOBSA-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 9zFoWX9aBHY
Name Syn-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-/m0/s1
InChIKey RYKWIJNMWANWAX-AAEUAGOBSA-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 splash10-05fr-5900000000-cd758f102f6d01765e4d
Source of Spectrum CJC-31-539/SM9-syn_6A
Synonyms (2R,3R)-methyl 2-ethyl-3-hydroxy-3-phenylbutanoate
Wiley ID 1772842