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1-Benzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanol
SpectraBase Compound ID HuPajNvEfmr
InChI InChI=1S/C22H22O6S/c23-15-9-18(25)16(19(26)10-15)11-21(28)22(14-6-7-17(24)20(27)8-14)29-12-13-4-2-1-3-5-13/h1-10,21-28H,11-12H2
InChIKey PEBHEKILCLIEMQ-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C22H22O6S
Exact Mass 414.11371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34zrVd2JunY
Name 1-Benzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanol
CAS Registry Number 113638-72-5
Comments MAJOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22O6S
InChI InChI=1S/C22H22O6S/c23-15-9-18(25)16(19(26)10-15)11-21(28)22(14-6-7-17(24)20(27)8-14)29-12-13-4-2-1-3-5-13/h1-10,21-28H,11-12H2
InChIKey PEBHEKILCLIEMQ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference P.E. Laks, R.W. Hemmingway, J. Chem. Soc. Perkin I 465, 1987.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6