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METHYL-[2-(ACRIDIN-9-YLIMINO)-3-(ACETYLAMINO)-4-OXOTHIAZOLIDIN-5-YLIDENE]-ACETATE
SpectraBase Compound ID Kdh8hr0anij
InChI InChI=1S/C21H16N4O4S/c1-12(26)24-25-20(28)17(11-18(27)29-2)30-21(25)23-19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-11H,1-2H3,(H,24,26)/b17-11-,23-21-
InChIKey QTYZHFRRJXSAMF-PHLQIDSESA-N
Mol Weight 420.44 g/mol
Molecular Formula C21H16N4O4S
Exact Mass 420.089226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HchMtxMtOCn
Name METHYL-[2-(ACRIDIN-9-YLIMINO)-3-(ACETYLAMINO)-4-OXOTHIAZOLIDIN-5-YLIDENE]-ACETATE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N4O4S
InChI InChI=1S/C21H16N4O4S/c1-12(26)24-25-20(28)17(11-18(27)29-2)30-21(25)23-19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-11H,1-2H3,(H,24,26)/b17-11-,23-21-
InChIKey QTYZHFRRJXSAMF-PHLQIDSESA-N
Literature Reference Author J.TOMASCIKOVA,J.IMRICH,I.DANIHEL,S.BOEHM,P.KRISTIAN,J.PISARC IKOVA,M.SABOL,K.D.KL
Literature Reference Citation MOLECULES,13,501(2008)
Literature Reference DOI 10.3390/molecules13030501
Molecular Weight 420.442 g/mol
Sample ID 56658
Solvent DMSO-D6