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(3R,4R,5S)-4-ETHYNYL-2,6-DIMETHYL-5-[N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-AMINO]-HEPTAN-3-OL

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(3R,4R,5S)-4-ETHYNYL-2,6-DIMETHYL-5-[N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-AMINO]-HEPTAN-3-OL
SpectraBase Compound ID BNpN9KLBaVn
InChI InChI=1S/C20H31NO3S/c1-9-17(19(22)13(4)5)18(12(2)3)21-25(23,24)20-15(7)10-14(6)11-16(20)8/h1,10-13,17-19,21-22H,2-8H3/t17-,18-,19-/m1/s1
InChIKey ZBXUCYAPYLPWMU-GUDVDZBRSA-N
Mol Weight 365.53 g/mol
Molecular Formula C20H31NO3S
Exact Mass 365.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5lj8B96Tqc
Name (3R,4R,5S)-4-ETHYNYL-2,6-DIMETHYL-5-[N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-AMINO]-HEPTAN-3-OL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO3S
InChI InChI=1S/C20H31NO3S/c1-9-17(19(22)13(4)5)18(12(2)3)21-25(23,24)20-15(7)10-14(6)11-16(20)8/h1,10-13,17-19,21-22H,2-8H3/t17-,18-,19-/m1/s1
InChIKey ZBXUCYAPYLPWMU-GUDVDZBRSA-N
Literature Reference Author H.OHNO,H.HAMAGUCHI,T.TANAKA
Literature Reference Citation J.ORG.CHEM.,66,1867(2001)
Literature Reference DOI 10.1021/jo005756v
Molecular Weight 365.531 g/mol
Solvent CDCl3
Source File Reference UWMS26231