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5-[4-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
SpectraBase Compound ID 1Mwljg95Nma
InChI InChI=1S/C24H23N5O3S/c1-24(2)28(30)21-13-10-18(14-22(21)29(24)31)16-32-20-11-8-17(9-12-20)15-25-27-23(33)26-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H2,26,27,33)/b25-15+
InChIKey IJBAHFSDXVVBSV-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 6KtadYpklKJ
Name 5-[4-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
Compound Number 29
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)21-13-10-18(14-22(21)29(24)31)16-32-20-11-8-17(9-12-20)15-25-27-23(33)26-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H2,26,27,33)/b25-15+
InChIKey IJBAHFSDXVVBSV-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 UWLU80491