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4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
SpectraBase Compound ID Hzcj6S0UWo6
InChI InChI=1S/C13H12N4O5/c1-7-11(16-22-17(7)18)13-15-14-12(21-13)8-4-5-9(19-2)10(6-8)20-3/h4-6H,1-3H3
InChIKey OHHQUUXRAOSOJH-UHFFFAOYSA-N
Mol Weight 304.26 g/mol
Molecular Formula C13H12N4O5
Exact Mass 304.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aWykQGusK0
Name 4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O5
InChI InChI=1S/C13H12N4O5/c1-7-11(16-22-17(7)18)13-15-14-12(21-13)8-4-5-9(19-2)10(6-8)20-3/h4-6H,1-3H3
InChIKey OHHQUUXRAOSOJH-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS-50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1940
Molecular Weight 304.262 g/mol
SMILES c1([n+](onc1-c1nnc(o1)-c1cc(c(cc1)OC)OC)[O-])C
SPLASH splash10-014l-3971000000-b929821057c6cfacfff3
Source of Spectrum Y-53-106-3g
Thin-Layer Chromatography Rf = 0.44 (CHCl3/EtOAc, 10:1)
Wiley ID 1877557