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3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol
SpectraBase Compound ID 8fHWm9zZtUl
InChI InChI=1S/C15H20OS/c1-14(2,3)15(4,16)11-10-12-6-8-13(17-5)9-7-12/h6-9,16H,1-5H3
InChIKey CXDQTMFJFJYZIE-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 AOSGCMmV6A8
Name 3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol
CAS Registry Number 124153-69-1
Compound Number 17P/TBU
Copyright Copyright © 2016-2025 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)11-10-12-6-8-13(17-5)9-7-12/h6-9,16H,1-5H3
InChIKey CXDQTMFJFJYZIE-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 UWED11287