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5-[4-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-BENZO-[1,2-C]-1,2,5-OXADIAZOLE-N-OXIDE
SpectraBase Compound ID 29qlWwsbXG2
InChI InChI=1S/C21H17N5O3S/c27-26-20-12-16(8-11-19(20)25-29-26)14-28-18-9-6-15(7-10-18)13-22-24-21(30)23-17-4-2-1-3-5-17/h1-13H,14H2,(H2,23,24,30)/b22-13+
InChIKey WNSFSEDWGOLSMJ-LPYMAVHISA-N
Mol Weight 419.46 g/mol
Molecular Formula C21H17N5O3S
Exact Mass 419.105211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2ysxXMpHUe
Name 5-[4-(N(4)-PHENYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-BENZO-[1,2-C]-1,2,5-OXADIAZOLE-N-OXIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N5O3S
InChI InChI=1S/C21H17N5O3S/c27-26-20-12-16(8-11-19(20)25-29-26)14-28-18-9-6-15(7-10-18)13-22-24-21(30)23-17-4-2-1-3-5-17/h1-13H,14H2,(H2,23,24,30)/b22-13+
InChIKey WNSFSEDWGOLSMJ-LPYMAVHISA-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 419.458 g/mol
Solvent DMSO-D6
Source File Reference UWLU80480