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S-tert-Butyl (S)-5-Oxo-3-phenylhexanethioate
SpectraBase Compound ID 3T005Zrx7Cf
InChI InChI=1S/C16H22O2S/c1-12(17)10-14(13-8-6-5-7-9-13)11-15(18)19-16(2,3)4/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKey GAIPUYXJYUBKHR-AWEZNQCLSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk7CHZWinDq
Name S-tert-Butyl (S)-5-Oxo-3-phenylhexanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-12(17)10-14(13-8-6-5-7-9-13)11-15(18)19-16(2,3)4/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKey GAIPUYXJYUBKHR-AWEZNQCLSA-N
Molecular Weight 278.410 g/mol
SMILES C(C[C@](CC(C)=O)(c1ccccc1)[H])(=O)SC(C)(C)C
SPLASH splash10-0019-0900000000-c19dc7c55c6ca0260ac9
Source of Spectrum F-68-10055-7
Synonyms S-(tert-butyl) (3S)-5-oxo-3-phenylhexanethioate
Wiley ID 1574015