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(3R,1'S)-1'-ethyl-2'-methylpropyl 3-methyl-6-oxohexanoate
SpectraBase Compound ID GBP0JyhavjZ
InChI InChI=1S/C13H24O3/c1-5-12(10(2)3)16-13(15)9-11(4)7-6-8-14/h8,10-12H,5-7,9H2,1-4H3/t11-,12+/m1/s1
InChIKey CFCCRPLDGZAJOS-NEPJUHHUSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmKbjz31xms
Name (3R,1'S)-1'-ethyl-2'-methylpropyl 3-methyl-6-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-5-12(10(2)3)16-13(15)9-11(4)7-6-8-14/h8,10-12H,5-7,9H2,1-4H3/t11-,12+/m1/s1
InChIKey CFCCRPLDGZAJOS-NEPJUHHUSA-N
Molecular Weight 228.332 g/mol
SMILES C(O[C@](C(C)C)(CC)[H])(=O)C[C@@](CCC=O)(C)[H]
SPLASH splash10-0059-9600000000-eeff84e4d42f5cae290e
Source of Spectrum F-66-2652-35
Synonyms (3R)-3-methyl-6-oxohexanoic acid [(3S)-2-methylpentan-3-yl] ester [(3S)-2-methylpentan-3-yl] (3R)-3-methyl-6-oxohexanoate [(1S)-1-ethyl-2-methyl-propyl] (3R)-3-methyl-6-oxo-hexanoate [(3S)-2-methylpentan-3-yl] (3R)-3-methyl-6-oxidanylidene-hexanoate
Wiley ID 1682425