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5-[2-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
SpectraBase Compound ID BNzP8uKMOs6
InChI InChI=1S/C24H23N5O3S/c1-24(2)28(30)20-13-12-17(14-21(20)29(24)31)16-32-22-11-7-6-8-18(22)15-25-27-23(33)26-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H2,26,27,33)/b25-15+
InChIKey BHJVNYXKTPMSPD-MFKUBSTISA-N
Mol Weight 461.54 g/mol
Molecular Formula C24H23N5O3S
Exact Mass 461.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZT8NXr1ktc
Name 5-[2-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23N5O3S
InChI InChI=1S/C24H23N5O3S/c1-24(2)28(30)20-13-12-17(14-21(20)29(24)31)16-32-22-11-7-6-8-18(22)15-25-27-23(33)26-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H2,26,27,33)/b25-15+
InChIKey BHJVNYXKTPMSPD-MFKUBSTISA-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 461.538 g/mol
Solvent ACETONE-D6
Source File Reference UWLU80494