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DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID 7Bm4OJJzn5Z
InChI InChI=1S/C26H28N2O4S2/c1-4-12-31-24(29)22(25(30)32-13-5-2)23(21-15-17-8-6-7-9-19(17)33-21)28-26-27-18-11-10-16(3)14-20(18)34-26/h6-11,14-15,22-23H,4-5,12-13H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKey MZKZFIWBJQFHEV-QHCPKHFHSA-N
Mol Weight 496.64 g/mol
Molecular Formula C26H28N2O4S2
Exact Mass 496.14905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kwnc0L59kLN
Name DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5O R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N2O4S2
InChI InChI=1S/C26H28N2O4S2/c1-4-12-31-24(29)22(25(30)32-13-5-2)23(21-15-17-8-6-7-9-19(17)33-21)28-26-27-18-11-10-16(3)14-20(18)34-26/h6-11,14-15,22-23H,4-5,12-13H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKey MZKZFIWBJQFHEV-QHCPKHFHSA-N
Literature Reference Author H.XIAO,F.WU,L.SHI,Z.CHEN,S.SU,C.TANG,H.WANG,Z.LI,M.LI,Q.SHI
Literature Reference Citation MOLECULES,19,3955(2014)
Literature Reference DOI 10.3390/molecules19043955
Molecular Weight 496.639 g/mol
Solvent CDCl3
Source File Reference UWBT14834