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1-BENZYLIDENAMINO-2-IMINO-3-(4-CARBETHOXYPHENYL)-4-THIOXO-5-(4-CARBETHOXYPHENYLIMINO)-IMIDAZOLIDIN
SpectraBase Compound ID ET4ypwDnlpP
InChI InChI=1S/C28H25N5O4S/c1-3-36-26(34)20-10-14-22(15-11-20)31-24-25(38)32(23-16-12-21(13-17-23)27(35)37-4-2)28(29)33(24)30-18-19-8-6-5-7-9-19/h5-18,29H,3-4H2,1-2H3/b29-28?,30-18+,31-24-
InChIKey PPWWMEHILXUKFM-RWXHSEQUSA-N
Mol Weight 527.6 g/mol
Molecular Formula C28H25N5O4S
Exact Mass 527.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVEvsIgGZew
Name 1-BENZYLIDENAMINO-2-IMINO-3-(4-CARBETHOXYPHENYL)-4-THIOXO-5-(4-CARBETHOXYPHENYLIMINO)-IMIDAZOLIDIN
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H25N5O4S
InChI InChI=1S/C28H25N5O4S/c1-3-36-26(34)20-10-14-22(15-11-20)31-24-25(38)32(23-16-12-21(13-17-23)27(35)37-4-2)28(29)33(24)30-18-19-8-6-5-7-9-19/h5-18,29H,3-4H2,1-2H3/b29-28?,30-18+,31-24-
InChIKey PPWWMEHILXUKFM-RWXHSEQUSA-N
Literature Reference Author R.BECKERT,M.GRUNER,I.SEIDEL,R.J.KUBAN
Literature Reference Citation MH.CHEM.,120,1125(1989)
Literature Reference DOI 10.1007/BF00809296
Molecular Weight 527.598 g/mol
Solvent CDCl3
Source File Reference UWRU9072