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3,4,4-trimethyl-1-(2-methylsulfanylphenyl)pent-1-yn-3-ol
SpectraBase Compound ID HncWWJQpVvO
InChI InChI=1S/C15H20OS/c1-14(2,3)15(4,16)11-10-12-8-6-7-9-13(12)17-5/h6-9,16H,1-5H3
InChIKey VOSVSGGAILNLDY-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SuQKcdt3zT
Name 3,4,4-trimethyl-1-(2-methylsulfanylphenyl)pent-1-yn-3-ol
CAS Registry Number 124153-67-9
Compound Number 17O/TBU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-14(2,3)15(4,16)11-10-12-8-6-7-9-13(12)17-5/h6-9,16H,1-5H3
InChIKey VOSVSGGAILNLDY-UHFFFAOYSA-N
Literature Reference Author P.A.A.KLUSENER,J.C.HANEKAMP,L.BRANDSMA,P.V.R.SCHLEYER
Literature Reference Citation J.ORG.CHEM.,55,1311(1990)
Literature Reference DOI 10.1021/jo00291a041
Molecular Weight 248.383 g/mol
Solvent CDCl3
Source File Reference UWED11285