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(4S,5S)-3,4-Dimethyl-5-phenyloxazolidin-2-one
SpectraBase Compound ID L2QI7tJXzz4
InChI InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10+/m0/s1
InChIKey MNYARIILPGRTQL-WCBMZHEXSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JySTNK8WK6w
Name (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
Appearance Colourless oil
Carrier Gas Nitrogen
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Exact Mass 191.094628661 u
Formula C11H13NO2
GC Column CP-Chirasil-DX CB or FS Supreme-5 MS (25 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10+/m0/s1
InChIKey MNYARIILPGRTQL-WCBMZHEXSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800588
Molecular Weight 191.230 g/mol
Optical Rotation [a]D20 = +38.6 (c = 0.86 g/100 mL, CHCl3)
Quality 392
Reported Formula C11H13NO2
SMILES C[C@@]1(N(C(O[C@]1(C1=CC=CC=C1)[H])=O)C)[H]
SPLASH splash10-0a4i-9400000000-8a7cc79c310da37244af
Source of Spectrum QE-24-SM54-4(16) (DOI: 10.1002/chem.201800588)
Thin-Layer Chromatography 0.33 (SiO2, Et2O/nPen, 75:25)
Wiley ID 1901467