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4-[4-(4-acetyloxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate
SpectraBase Compound ID 4QxKwZ6mc0s
InChI InChI=1S/C25H18O9S2/c1-16(26)33-21-8-2-17(3-9-21)20-14-24(18-4-10-22(11-5-18)35(27,28)29)34-25(15-20)19-6-12-23(13-7-19)36(30,31)32/h2-15H,1H3,(H-,27,28,29,30,31,32)
InChIKey WYGZRKFMXPRKHA-UHFFFAOYSA-N
Mol Weight 526.53 g/mol
Molecular Formula C25H18O9S2
Exact Mass 526.039224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xK7e6DyoX8
Name 4-[4-(4-acetyloxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H18O9S2
InChI InChI=1S/C25H18O9S2/c1-16(26)33-21-8-2-17(3-9-21)20-14-24(18-4-10-22(11-5-18)35(27,28)29)34-25(15-20)19-6-12-23(13-7-19)36(30,31)32/h2-15H,1H3,(H-,27,28,29,30,31,32)
InChIKey WYGZRKFMXPRKHA-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,O.A.SCHWARZ,A.E.A.RAHMAN,D.E.LEAHY
Literature Reference Citation J.HETCYCL.CHEM.,21,1673(1984)
Literature Reference DOI 10.1002/jhet.5570210621
Molecular Weight 526.533 g/mol
Solvent DMSO-D6
Source File Reference UWCS9268