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2,2-Dimethyl-5-(phenylthio)-3-pentanone
SpectraBase Compound ID 2H2H75IJBSr
InChI InChI=1S/C13H18OS/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey RSQOXXWOYLOAEJ-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExW7dY7NHMD
Name 2,2-DIMETHYL-5-(PHENYLTHIO)-3-PENTANONE
CAS Registry Number 137518-35-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey RSQOXXWOYLOAEJ-UHFFFAOYSA-N
Literature Reference Author H.NAKAHIRA,I.RYU,M.IKEBE,Y.OKU,A.OGAWA,N.KAMBE,N.SONODA,S.MU RAI
Literature Reference Citation J.ORG.CHEM.,57,17(1992)
Literature Reference DOI 10.1021/jo00027a008
Molecular Weight 222.345 g/mol
Solvent CDCl3
Source File Reference UWCS2678