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(4S)-4-(1-methyl-1-methylsulfanyl-ethyl)-2-(2-pyridyl)-4,5-dihydrooxazole
SpectraBase Compound ID LrcZ5J3Fv6a
InChI InChI=1S/C12H16N2OS/c1-12(2,16-3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKey SSXPKDOIOXWSRZ-JTQLQIEISA-N
Mol Weight 236.33 g/mol
Molecular Formula C12H16N2OS
Exact Mass 236.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEU9xj0XeG0
Name (4S)-4-(1-methyl-1-methylsulfanyl-ethyl)-2-(2-pyridyl)-4,5-dihydrooxazole
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1521915 moved to the Legacy library
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Formula C12H16N2OS
InChI InChI=1S/C12H16N2OS/c1-12(2,16-3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKey SSXPKDOIOXWSRZ-JTQLQIEISA-N
Molecular Weight 236.333 g/mol
SMILES C1(=N[C@@](CO1)(C(SC)(C)C)[H])c1ncccc1
SPLASH splash10-000i-9010000000-a2a85aae3d31a3add527
Source of Spectrum K1-2002-325-12
Synonyms (4S)-4-(2-methylsulfanylpropan-2-yl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (4S)-4-[1-methyl-1-(methylthio)ethyl]-2-(2-pyridyl)-2-oxazoline (4S)-4-[2-(methylthio)propan-2-yl]-2-(2-pyridinyl)-4,5-dihydrooxazole
Wiley ID 1821049