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S-tert-Butyl (S)-5-Oxo-6-methyl-3-phenylheptanethioate
SpectraBase Compound ID 8c2EEcZu2Yk
InChI InChI=1S/C18H26O2S/c1-13(2)16(19)11-15(14-9-7-6-8-10-14)12-17(20)21-18(3,4)5/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKey VJMVPZICHSKFQI-HNNXBMFYSA-N
Mol Weight 306.46 g/mol
Molecular Formula C18H26O2S
Exact Mass 306.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OddBMEeK93
Name S-tert-Butyl (S)-5-Oxo-6-methyl-3-phenylheptanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2S
InChI InChI=1S/C18H26O2S/c1-13(2)16(19)11-15(14-9-7-6-8-10-14)12-17(20)21-18(3,4)5/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKey VJMVPZICHSKFQI-HNNXBMFYSA-N
Molecular Weight 306.464 g/mol
SMILES C(C[C@](CC(C(C)C)=O)(c1ccccc1)[H])(=O)SC(C)(C)C
SPLASH splash10-014i-1490000000-adffc72c4a919d7498fb
Source of Spectrum F-68-10056-7
Synonyms S-(tert-butyl) (3S)-6-methyl-5-oxo-3-phenylheptanethioate
Wiley ID 1574001