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6'-Benzyloxy-3-oxo-3',4'-dimethoxy-2-methylthiomethyl-4-(2-methyl-1,3-dioxolan-2-yl)-2'-(1-propenyl)-butyrophenone
SpectraBase Compound ID 3HEGRwjc3Mt
InChI InChI=1S/C28H34O7S/c1-6-10-20-25(26(30)21(18-36-5)22(29)16-28(2)34-13-14-35-28)23(15-24(31-3)27(20)32-4)33-17-19-11-8-7-9-12-19/h6-12,15,21H,13-14,16-18H2,1-5H3/b10-6+
InChIKey QXCCVBCDAZPDJY-UXBLZVDNSA-N
Mol Weight 514.6 g/mol
Molecular Formula C28H34O7S
Exact Mass 514.202525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbfA1EKTBY9
Name 6'-Benzyloxy-3-oxo-3',4'-dimethoxy-2-methylthiomethyl-4-(2-methyl-1,3-dioxolan-2-yl)-2'-(1-propenyl)-butyrophenone
CAS Registry Number 95730-76-0
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H34O7S
InChI InChI=1S/C28H34O7S/c1-6-10-20-25(26(30)21(18-36-5)22(29)16-28(2)34-13-14-35-28)23(15-24(31-3)27(20)32-4)33-17-19-11-8-7-9-12-19/h6-12,15,21H,13-14,16-18H2,1-5H3/b10-6+
InChIKey QXCCVBCDAZPDJY-UXBLZVDNSA-N
Instrument Name Jeol GX-270
Literature Reference M. Yamauchi, S. Katayama, T. Todoroki, J. Chem. Soc. Perkin I 1987, 389.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3