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(5R,6S)-6-tert-Butylthio-5-hydroxy-3-oxononanoic acid methyl ester
SpectraBase Compound ID DHgg0KO5adu
InChI InChI=1S/C14H26O4S/c1-6-7-12(19-14(2,3)4)11(16)8-10(15)9-13(17)18-5/h11-12,16H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKey WLJWBPOSURDRCW-NEPJUHHUSA-N
Mol Weight 290.42 g/mol
Molecular Formula C14H26O4S
Exact Mass 290.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Wx53bo5bB2
Name (5R,6S)-6-tert-Butylthio-5-hydroxy-3-oxononanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O4S
InChI InChI=1S/C14H26O4S/c1-6-7-12(19-14(2,3)4)11(16)8-10(15)9-13(17)18-5/h11-12,16H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKey WLJWBPOSURDRCW-NEPJUHHUSA-N
Molecular Weight 290.418 g/mol
SMILES O[C@](CC(CC(=O)OC)=O)([C@@](SC(C)(C)C)(CCC)[H])[H]
SPLASH splash10-0a4s-9510000000-bdee65c5d421114d1a7d
Source of Spectrum F-52-2904-5
Synonyms Methyl (5R,6S)-6-(tert-butylsulfanyl)-5-hydroxy-3-oxononanoate
Wiley ID 795448