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(4S,Rs)-4-Isopropyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID 19TLgdVwmjy
InChI InChI=1S/C13H17NO2S/c1-9(2)11-8-16-13(14-11)10-6-4-5-7-12(10)17(3)15/h4-7,9,11H,8H2,1-3H3/t11-,17?/m1/s1
InChIKey QHMKUYUGUJREIO-VCQTYVLVSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3aTo6ibxs
Name (4S,Rs)-4-Isopropyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
Alternate Name(s) (4S)-4-isopropyl-2-[2-(methylsulfinyl)phenyl]-4,5-dihydro-1,3-oxazole (4S,Rs/Ss)-4-Isopropyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole 2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl methyl sulfoxide
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Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-9(2)11-8-16-13(14-11)10-6-4-5-7-12(10)17(3)15/h4-7,9,11H,8H2,1-3H3/t11-,17?/m1/s1
InChIKey QHMKUYUGUJREIO-VCQTYVLVSA-N
Molecular Weight 251.344 g/mol
SMILES C1(=N[C@@](C(C)C)(CO1)[H])c1c([S@](=O)C)cccc1
SPLASH splash10-000i-0290000000-9a945ed4b29d6ff449ab
Source of Spectrum KC-0-338-22
Wiley ID 785092