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(3S)-Methyl-6-benzenesulfonyl-3-methylhexanoate
SpectraBase Compound ID e4KnCaTrDK
InChI InChI=1S/C14H20O4S/c1-12(11-14(15)18-2)7-6-10-19(16,17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKey OKDXLOPYXAUUBP-LBPRGKRZSA-N
Mol Weight 284.37 g/mol
Molecular Formula C14H20O4S
Exact Mass 284.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a0ZUzzQuzN
Name (3S)-Methyl-6-benzenesulfonyl-3-methylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S
InChI InChI=1S/C14H20O4S/c1-12(11-14(15)18-2)7-6-10-19(16,17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKey OKDXLOPYXAUUBP-LBPRGKRZSA-N
Literature Reference DOI 10.1002/cjoc.200790252
Molecular Weight 284.370 g/mol
SMILES c1(S(CCC[C@](C)(CC(OC)=O)[H])(=O)=O)ccccc1
SPLASH splash10-00kf-9510000000-7b290b6b72fbd61e81ac
Source of Spectrum CJC-25-1361-21
Synonyms (S)-methyl 3-methyl-6-(phenylsulfonyl)hexanoate
Wiley ID 1772125