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DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
SpectraBase Compound ID BjuwvbR1kFA
InChI InChI=1S/C25H26N2O4S2/c1-3-13-30-23(28)21(24(29)31-14-4-2)22(20-15-16-9-5-7-11-18(16)32-20)27-25-26-17-10-6-8-12-19(17)33-25/h5-12,15,21-22H,3-4,13-14H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKey IOEVFMUXMWWTOX-QFIPXVFZSA-N
Mol Weight 482.61 g/mol
Molecular Formula C25H26N2O4S2
Exact Mass 482.1334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Oy7QHPzv9O
Name DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
Compound Number 5CR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26N2O4S2
InChI InChI=1S/C25H26N2O4S2/c1-3-13-30-23(28)21(24(29)31-14-4-2)22(20-15-16-9-5-7-11-18(16)32-20)27-25-26-17-10-6-8-12-19(17)33-25/h5-12,15,21-22H,3-4,13-14H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKey IOEVFMUXMWWTOX-QFIPXVFZSA-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 482.612 g/mol
Solvent CDCl3
Source File Reference UWBT14822