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5,7-Dihydroxy-4'-methylsulfonyloxy-isoflavone
SpectraBase Compound ID HI76PQsmvP2
InChI InChI=1S/C16H12O7S/c1-24(20,21)23-11-4-2-9(3-5-11)12-8-22-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKey NHEKWRKBRHHJNW-UHFFFAOYSA-N
Mol Weight 348.33 g/mol
Molecular Formula C16H12O7S
Exact Mass 348.030374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IN3JvPeBBGi
Name 5,7-Dihydroxy-4'-methylsulfonyloxy-isoflavone
CAS Registry Number 62845-12-9
Comments STRUCTURE CHANGED (A.H.)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H12O7S
InChI InChI=1S/C16H12O7S/c1-24(20,21)23-11-4-2-9(3-5-11)12-8-22-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKey NHEKWRKBRHHJNW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A. Pelter, R. Ward, J. Chem. Soc. Perkin I 666 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6