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2-Hydroxymethyl-3-phenyl-3-phenylthiomethoxy-propyl 3,4-dimethoxy-phenyl ketone
SpectraBase Compound ID Bwh0AbheCJb
InChI InChI=1S/C26H28O5S/c1-29-24-14-13-20(16-25(24)30-2)23(28)15-21(17-27)26(19-9-5-3-6-10-19)31-18-32-22-11-7-4-8-12-22/h3-14,16,21,26-27H,15,17-18H2,1-2H3
InChIKey PUZVKDMPJRNSCB-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C26H28O5S
Exact Mass 452.165745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1TtAdIeqKt
Name 2-Hydroxymethyl-3-phenyl-3-phenylthiomethoxy-propyl 3,4-dimethoxy-phenyl ketone
Comments VARIAN XL-100 OR BRUKER 250 WM SPECTROMETER
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Formula C26H28O5S
InChI InChI=1S/C26H28O5S/c1-29-24-14-13-20(16-25(24)30-2)23(28)15-21(17-27)26(19-9-5-3-6-10-19)31-18-32-22-11-7-4-8-12-22/h3-14,16,21,26-27H,15,17-18H2,1-2H3
InChIKey PUZVKDMPJRNSCB-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Pelter, R.S. Ward, G.M. Little, J. Chem. Soc. Perkin I 2775 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3