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5-[4-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
SpectraBase Compound ID D0ZdkBdHSMy
InChI InChI=1S/C21H23N5O3S/c1-4-11-22-20(30)24-23-13-15-5-8-17(9-6-15)29-14-16-7-10-18-19(12-16)26(28)21(2,3)25(18)27/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,24,30)/b23-13+
InChIKey POBUUCDKSMKENF-YDZHTSKRSA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hgJEiNAS6k
Name 5-[4-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5O3S
InChI InChI=1S/C21H23N5O3S/c1-4-11-22-20(30)24-23-13-15-5-8-17(9-6-15)29-14-16-7-10-18-19(12-16)26(28)21(2,3)25(18)27/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,24,30)/b23-13+
InChIKey POBUUCDKSMKENF-YDZHTSKRSA-N
Literature Reference Author A.MERLINO,D.BENITEZ,S.CHAVEZ,J.DACUNHA,P.HERNANDEZ,L.W.TINOC O,N.E.CAMPILLO,J.A.P
Literature Reference Citation MEDCHEMCOMM,1,216(2010)
Literature Reference DOI 10.1039/c0md00085j
Molecular Weight 425.505 g/mol
Solvent ACETONE-D6
Source File Reference UWLU80490