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1-Benzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanone

View entire compound with spectra: 1 NMR

1-Benzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanone
SpectraBase Compound ID CKC7nv5cyyY
InChI InChI=1S/C22H20O6S/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/h1-10,22-27H,11-12H2
InChIKey ZVIQYEPTJWPSKH-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C22H20O6S
Exact Mass 412.09806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CU4mLLrbtjf
Name 1-Benzylthio-1-(3,4-dihydroxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-2-propanone
CAS Registry Number 98900-31-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H20O6S
InChI InChI=1S/C22H20O6S/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/h1-10,22-27H,11-12H2
InChIKey ZVIQYEPTJWPSKH-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