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5-METHYL-3-({[(4-METHYLPHENYL)-SULFONYL]-METHYL)-HEXANOIC_ACID
SpectraBase Compound ID 6Fd7jZlglhQ
InChI InChI=1S/C15H23NO4S/c1-11(2)8-13(9-15(17)18)10-16-21(19,20)14-6-4-12(3)5-7-14/h4-7,11,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKey RJNPPWFJTUAUMF-UHFFFAOYSA-N
Mol Weight 313.41 g/mol
Molecular Formula C15H23NO4S
Exact Mass 313.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSANXktgRSg
Name 5-METHYL-3-({[(4-METHYLPHENYL)-SULFONYL]-METHYL)-HEXANOIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23NO4S
InChI InChI=1S/C15H23NO4S/c1-11(2)8-13(9-15(17)18)10-16-21(19,20)14-6-4-12(3)5-7-14/h4-7,11,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKey RJNPPWFJTUAUMF-UHFFFAOYSA-N
Literature Reference Author S.BENI,T.SOHAJDA,G.NEUMAJER,R.IVANYI,L.SZENTE,B.NOSZAL
Literature Reference Citation J.PHARM.BIOM.ANAL.,51,842(2010)
Literature Reference DOI 10.1016/j.jpba.2009.10.010
Molecular Weight 313.412 g/mol
Solvent CDCl3
Source File Reference UWMZ44201