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#11B;2-[2-(4-CHLOROPHENYL)-HYDRAZONO]-3-[5-[2-[2-(4-CHLOROPHENYL)-HYDRAZONO]-3-NITRILOPROPANOYL]-3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHEN-2-YL]-3-OXOPROPANENITRILE
SpectraBase Compound ID 47F3xsEkapK
InChI InChI=1S/C26H16Cl2N6O2S2/c1-13-21-14(2)25(23(36)20(12-30)34-32-18-9-5-16(28)6-10-18)38-26(21)37-24(13)22(35)19(11-29)33-31-17-7-3-15(27)4-8-17/h3-10,31-32H,1-2H3/b33-19+,34-20+
InChIKey DTNKBXGOUXERDQ-ZXHXELASSA-N
Mol Weight 579.48 g/mol
Molecular Formula C26H16Cl2N6O2S2
Exact Mass 578.015322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dap0DC3QJ8Y
Name #11B;2-[2-(4-CHLOROPHENYL)-HYDRAZONO]-3-[5-[2-[2-(4-CHLOROPHENYL)-HYDRAZONO]-3-NITRILOPROPANOYL]-3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHEN-2-YL]-3-OXOPROPANENITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H16Cl2N6O2S2
InChI InChI=1S/C26H16Cl2N6O2S2/c1-13-21-14(2)25(23(36)20(12-30)34-32-18-9-5-16(28)6-10-18)38-26(21)37-24(13)22(35)19(11-29)33-31-17-7-3-15(27)4-8-17/h3-10,31-32H,1-2H3/b33-19+,34-20+
InChIKey DTNKBXGOUXERDQ-ZXHXELASSA-N
Literature Reference Author Y.N.MABKHOOT
Literature Reference Citation MOLECULES,14,1904(2009)
Literature Reference DOI 10.3390/molecules14051904
Molecular Weight 579.478 g/mol
Sample ID 69495
Solvent DMSO-D6