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(SS,2S)-4-Bromo-2-cyclohexylsulfinyl-N,N-dimethylpent-4-enethioamide
SpectraBase Compound ID KM9cktwjmSV
InChI InChI=1S/C13H22BrNOS2/c1-10(14)9-12(13(17)15(2)3)18(16)11-7-5-4-6-8-11/h11-12H,1,4-9H2,2-3H3/t12-,18?/m0/s1
InChIKey PJKSJYIYLHYOPY-RSXQAXDFSA-N
Mol Weight 352.35 g/mol
Molecular Formula C13H22BrNOS2
Exact Mass 351.03262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQUeAjHOjFo
Name (SS,2S)-4-Bromo-2-cyclohexylsulfinyl-N,N-dimethylpent-4-enethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22BrNOS2
InChI InChI=1S/C13H22BrNOS2/c1-10(14)9-12(13(17)15(2)3)18(16)11-7-5-4-6-8-11/h11-12H,1,4-9H2,2-3H3/t12-,18?/m0/s1
InChIKey PJKSJYIYLHYOPY-RSXQAXDFSA-N
Molecular Weight 352.349 g/mol
SMILES [C@]([S@@](=O)C1CCCCC1)(C(=S)N(C)C)(CC(=C)Br)[H]
SPLASH splash10-001l-9610000000-0c9d23155280eba53161
Source of Spectrum J-66-7846-3
Synonyms (2S)-4-bromo-2-[(S)-cyclohexylsulfinyl]-N,N-dimethyl-4-pentenethioamide (2S)-4-bromo-2-[(S)-cyclohexylsulfinyl]-N,N-dimethylpent-4-enethioamide (2S)-4-bromanyl-2-[(S)-cyclohexylsulfinyl]-N,N-dimethyl-pent-4-enethioamide
Wiley ID 1568511