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5-[2-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
SpectraBase Compound ID 1vzwYAAJro1
InChI InChI=1S/C21H23N5O3S/c1-4-11-22-20(30)24-23-13-16-7-5-6-8-19(16)29-14-15-9-10-17-18(12-15)26(28)21(2,3)25(17)27/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,24,30)/b23-13+
InChIKey RQUUKMDDEJQUGE-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 FW8joHPNETY
Name 5-[2-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-2,2-DIMETHYL-2H-BENZIMIDAZOLE-1,3-DI-N-OXIDE
Compound Number 35
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)24-23-13-16-7-5-6-8-19(16)29-14-15-9-10-17-18(12-15)26(28)21(2,3)25(17)27/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,24,30)/b23-13+
InChIKey RQUUKMDDEJQUGE-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 UWLU80493