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3-[4-(3-CYCLOHEXYL-4-CYCLOHEXYLIMINO-1,3-THIAZETIDINE-2-YLIDENAMINO)-PHENYL]-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID Lm2DCIBsz3W
InChI InChI=1S/C25H32N4OS3/c30-22-12-7-17-32-25(31)28(22)21-15-13-19(14-16-21)27-24-29(20-10-5-2-6-11-20)23(33-24)26-18-8-3-1-4-9-18/h13-16,18,20H,1-12,17H2/b26-23-,27-24-
InChIKey XCLYZOXGVPKFDY-QXKKBDLUSA-N
Mol Weight 500.7 g/mol
Molecular Formula C25H32N4OS3
Exact Mass 500.173825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tE8Ma44tV3
Name 3-[4-(3-CYCLOHEXYL-4-CYCLOHEXYLIMINO-1,3-THIAZETIDINE-2-YLIDENAMINO)-PHENYL]-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N4OS3
InChI InChI=1S/C25H32N4OS3/c30-22-12-7-17-32-25(31)28(22)21-15-13-19(14-16-21)27-24-29(20-10-5-2-6-11-20)23(33-24)26-18-8-3-1-4-9-18/h13-16,18,20H,1-12,17H2/b26-23-,27-24-
InChIKey XCLYZOXGVPKFDY-QXKKBDLUSA-N
Literature Reference Author W.HANEFELD,H.SCHUETZ
Literature Reference Citation J.HETCYCL.CHEM.,36,1167(1999)
Literature Reference DOI 10.1002/jhet.5570360509
Molecular Weight 500.735 g/mol
Solvent CDCl3
Source File Reference UWSI24535