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3-HYDROXY-4-(METHYLTHIO)-1-PHENYLHEXAN-1-ONE,ISOMER-#B
SpectraBase Compound ID B5pmaSTinIN
InChI InChI=1S/C13H18O2S/c1-3-13(16-2)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,12-13,15H,3,9H2,1-2H3/t12-,13+/m1/s1
InChIKey SBNXJRWBDZMYCU-OLZOCXBDSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88qT8hY8Iep
Name 3-HYDROXY-4-(METHYLTHIO)-1-PHENYLHEXAN-1-ONE,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-3-13(16-2)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,12-13,15H,3,9H2,1-2H3/t12-,13+/m1/s1
InChIKey SBNXJRWBDZMYCU-OLZOCXBDSA-N
Literature Reference Author R.ANNUNZIATA,M.CINQUINI,F.COZZI,P.G.COZZI,E.CONSOLANDI
Literature Reference Citation J.ORG.CHEM.,57,456(1992)
Literature Reference DOI 10.1021/jo00028a015
Molecular Weight 238.345 g/mol
Solvent CDCl3
Source File Reference UWCS2084