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1,5-BIS-(PHENYLTHIOACETAMIDO)-ANTHRAQUINONE
SpectraBase Compound ID E6X5jQ5ycZd
InChI InChI=1S/C30H22N2O4S2/c33-25(17-37-19-9-3-1-4-10-19)31-23-15-7-13-21-27(23)29(35)22-14-8-16-24(28(22)30(21)36)32-26(34)18-38-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKey KPBBTCAERZQVQQ-UHFFFAOYSA-N
Mol Weight 538.64 g/mol
Molecular Formula C30H22N2O4S2
Exact Mass 538.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xwqf2ehj69
Name 1,5-BIS-(PHENYLTHIOACETAMIDO)-ANTHRAQUINONE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H22N2O4S2
InChI InChI=1S/C30H22N2O4S2/c33-25(17-37-19-9-3-1-4-10-19)31-23-15-7-13-21-27(23)29(35)22-14-8-16-24(28(22)30(21)36)32-26(34)18-38-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKey KPBBTCAERZQVQQ-UHFFFAOYSA-N
Literature Reference Author H.S.HUANG,H.F.CHIU,C.W.TAO,I.B.CHEN
Literature Reference Citation CHEM.PHARM.BULL.,54,458(2006)
Literature Reference DOI 10.1248/cpb.54.458
Molecular Weight 538.636 g/mol
Sample ID 54905
Solvent CDCl3