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2,5-Dihydroxy-2-methyl-oct-7-yn-1-yl toluene-P-5ulfonate

View entire compound with spectra: 1 NMR

2,5-Dihydroxy-2-methyl-oct-7-yn-1-yl toluene-P-5ulfonate
SpectraBase Compound ID DNmJfwKofXw
InChI InChI=1S/C16H22O5S/c1-4-5-14(17)10-11-16(3,18)12-21-22(19,20)15-8-6-13(2)7-9-15/h1,6-9,14,17-18H,5,10-12H2,2-3H3
InChIKey IXWLSNBQDHCXCQ-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C16H22O5S
Exact Mass 326.118795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e3TkGYdfbw
Name 2,5-Dihydroxy-2-methyl-oct-7-yn-1-yl toluene-P-5ulfonate
Comments 67.8 MHZ SPECTRUM, ADDITIONAL SIGNALS PRESENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22O5S
InChI InChI=1S/C16H22O5S/c1-4-5-14(17)10-11-16(3,18)12-21-22(19,20)15-8-6-13(2)7-9-15/h1,6-9,14,17-18H,5,10-12H2,2-3H3
InChIKey IXWLSNBQDHCXCQ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference M.A. Brimble, G.M. Williams, R.Baker, J. Chem. Soc. Perkin I 2221 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3