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(4R,5R)-3-(tert-butylsulfanylmethyl)-4-ethyl-5-isopropyl-oxazolidin-2-one
SpectraBase Compound ID G0B2CQCzXtQ
InChI InChI=1S/C13H25NO2S/c1-7-10-11(9(2)3)16-12(15)14(10)8-17-13(4,5)6/h9-11H,7-8H2,1-6H3/t10-,11-/m1/s1
InChIKey OZZZOVCNWUIFRR-GHMZBOCLSA-N
Mol Weight 259.41 g/mol
Molecular Formula C13H25NO2S
Exact Mass 259.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DiW0HhanXX
Name (4R,5R)-3-(tert-butylsulfanylmethyl)-4-ethyl-5-isopropyl-oxazolidin-2-one
Alternate Name(s) (4R,5R)-3-(tert-butylsulfanylmethyl)-4-ethyl-5-propan-2-yl-1,3-oxazolidin-2-one (4R,5R)-3-[(tert-butylthio)methyl]-4-ethyl-5-isopropyl-oxazolidin-2-one (4R,5R)-3-[(tert-butylthio)methyl]-4-ethyl-5-propan-2-yl-2-oxazolidinone
Comments Less than 3 mono-isotopic peaks
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Formula C13H25NO2S
InChI InChI=1S/C13H25NO2S/c1-7-10-11(9(2)3)16-12(15)14(10)8-17-13(4,5)6/h9-11H,7-8H2,1-6H3/t10-,11-/m1/s1
InChIKey OZZZOVCNWUIFRR-GHMZBOCLSA-N
Molecular Weight 259.408 g/mol
SMILES C1(N([C@@]([C@](O1)(C(C)C)[H])(CC)[H])CSC(C)(C)C)=O
SPLASH splash10-00di-9000000000-e03b00bdf49479b94465
Source of Spectrum J-67-3634-9
Wiley ID 1569917