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3-HYDROXY-4-METHYL-5-(BUTYLTHIO)-1-PHENYLPENTAN-1-ONE,ISOMER-#A

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3-HYDROXY-4-METHYL-5-(BUTYLTHIO)-1-PHENYLPENTAN-1-ONE,ISOMER-#A
SpectraBase Compound ID KGU1BGXF3l
InChI InChI=1S/C16H24O2S/c1-3-4-10-19-12-13(2)15(17)11-16(18)14-8-6-5-7-9-14/h5-9,13,15,17H,3-4,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKey MZTDKMDWYCWNIM-UKRRQHHQSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAlZtuXLw8o
Name 3-HYDROXY-4-METHYL-5-(BUTYLTHIO)-1-PHENYLPENTAN-1-ONE,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-3-4-10-19-12-13(2)15(17)11-16(18)14-8-6-5-7-9-14/h5-9,13,15,17H,3-4,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKey MZTDKMDWYCWNIM-UKRRQHHQSA-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 280.425 g/mol
Solvent CDCl3
Source File Reference UWCS2104