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1,3-Bisbenzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanol

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1,3-Bisbenzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanol
SpectraBase Compound ID 4lHE7CA1aR2
InChI InChI=1S/C29H28O6S2/c30-21-14-24(33)26(25(34)15-21)29(37-17-19-9-5-2-6-10-19)27(35)28(20-11-12-22(31)23(32)13-20)36-16-18-7-3-1-4-8-18/h1-15,27-35H,16-17H2
InChIKey JGCDIKGMXBTHFR-UHFFFAOYSA-N
Mol Weight 536.66 g/mol
Molecular Formula C29H28O6S2
Exact Mass 536.132731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSL6Rmw0V4O
Name 1,3-Bisbenzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanol
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C29H28O6S2
InChI InChI=1S/C29H28O6S2/c30-21-14-24(33)26(25(34)15-21)29(37-17-19-9-5-2-6-10-19)27(35)28(20-11-12-22(31)23(32)13-20)36-16-18-7-3-1-4-8-18/h1-15,27-35H,16-17H2
InChIKey JGCDIKGMXBTHFR-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