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(S(S),1R)-1-(2-Bromopyridin-3-yl)-N-(tert-butylsulfinyl)but-3-en-1-amine
SpectraBase Compound ID 16PTWaSnEIZ
InChI InChI=1S/C13H19BrN2OS/c1-5-7-11(16-18(17)13(2,3)4)10-8-6-9-15-12(10)14/h5-6,8-9,11,16H,1,7H2,2-4H3/t11-,18?/m1/s1
InChIKey KWYHHWRQNZZNFC-SSJGJQFISA-N
Mol Weight 331.27 g/mol
Molecular Formula C13H19BrN2OS
Exact Mass 330.040147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LR8AgAqE8qA
Name (S(S),1R)-1-(2-Bromopyridin-3-yl)-N-(tert-butylsulfinyl)but-3-en-1-amine
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Formula C13H19BrN2OS
InChI InChI=1S/C13H19BrN2OS/c1-5-7-11(16-18(17)13(2,3)4)10-8-6-9-15-12(10)14/h5-6,8-9,11,16H,1,7H2,2-4H3/t11-,18?/m1/s1
InChIKey KWYHHWRQNZZNFC-SSJGJQFISA-N
Molecular Weight 331.272 g/mol
SMILES N([S@](C(C)(C)C)=O)[C@@](c1c(nccc1)Br)(CC=C)[H]
SPLASH splash10-0f89-3950000000-2c68fd6dad8fad79d343
Source of Spectrum U1-2013-2467-4e
Synonyms (S)-N-((R)-1-(2-bromopyridin-3-yl)but-3-en-1-yl)-2-methylpropane-2-sulfinamide N-[(1R)-1-(2-bromo-3-pyridinyl)but-3-enyl]-2-methyl-2-propanesulfinamide N-[(1R)-1-(2-bromopyridin-3-yl)but-3-enyl]-2-methylpropane-2-sulfinamide N-[(1R)-1-(2-bromanylpyridin-3-yl)but-3-enyl]-2-methyl-propane-2-sulfinamide
Wiley ID 1735929