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(4S,5R)-5-(4-Methanesulfonyl-benzyl)-4-methyl-dihydro-furan-2-one
SpectraBase Compound ID DBC6c3H6321
InChI InChI=1S/C13H16O4S/c1-9-7-13(14)17-12(9)8-10-3-5-11(6-4-10)18(2,15)16/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKey INJXOCXWEOSFLO-JOYOIKCWSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5acyDlye0Sb
Name (4S,5R)-5-(4-Methanesulfonyl-benzyl)-4-methyl-dihydro-furan-2-one
Alternate Name(s) (4S,5R)-4-methyl-5-[4-(methylsulfonyl)benzyl]dihydro-2(3H)-furanone (4S/R,5S)-4-Methyl-5-(p-tolylsulfonyl)dihydrofuran-2-one
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Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-9-7-13(14)17-12(9)8-10-3-5-11(6-4-10)18(2,15)16/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKey INJXOCXWEOSFLO-JOYOIKCWSA-N
Molecular Weight 268.327 g/mol
SMILES c1(S(=O)(=O)C)ccc(C[C@]2(OC(=O)C[C@@]2(C)[H])[H])cc1
SPLASH splash10-00kf-9300000000-18245b4722b267394d3b
Source of Spectrum F-70-10044-22
Wiley ID 1598018