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5-[4-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-BENZO-[1,2-C]-1,2,5-OXADIAZOLE-N-OXIDE
SpectraBase Compound ID 7oeUZBeFEUY
InChI InChI=1S/C18H17N5O3S/c1-2-9-19-18(27)21-20-11-13-3-6-15(7-4-13)25-12-14-5-8-16-17(10-14)23(24)26-22-16/h2-8,10-11H,1,9,12H2,(H2,19,21,27)/b20-11+
InChIKey WLZVDNYTUVNUSU-RGVLZGJSSA-N
Mol Weight 383.43 g/mol
Molecular Formula C18H17N5O3S
Exact Mass 383.105211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56G1YQCAA4n
Name 5-[4-(N(4)-ALLYLTHIOSEMICARBAZONO)-PHENYLOXYMETHYL]-BENZO-[1,2-C]-1,2,5-OXADIAZOLE-N-OXIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N5O3S
InChI InChI=1S/C18H17N5O3S/c1-2-9-19-18(27)21-20-11-13-3-6-15(7-4-13)25-12-14-5-8-16-17(10-14)23(24)26-22-16/h2-8,10-11H,1,9,12H2,(H2,19,21,27)/b20-11+
InChIKey WLZVDNYTUVNUSU-RGVLZGJSSA-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 383.425 g/mol
Solvent DMSO-D6
Source File Reference UWLU80479