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3-methyl-2-oxido-4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,2,5-oxadiazol-2-ium
SpectraBase Compound ID 3dCo2iwhz0P
InChI InChI=1S/C14H14N4O6/c1-7-11(17-24-18(7)19)14-16-15-13(23-14)8-5-9(20-2)12(22-4)10(6-8)21-3/h5-6H,1-4H3
InChIKey GJSHQZUHTZFSOL-UHFFFAOYSA-N
Mol Weight 334.29 g/mol
Molecular Formula C14H14N4O6
Exact Mass 334.091334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9BCv0zZfUW
Name 3-methyl-2-oxido-4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,2,5-oxadiazol-2-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O6
InChI InChI=1S/C14H14N4O6/c1-7-11(17-24-18(7)19)14-16-15-13(23-14)8-5-9(20-2)12(22-4)10(6-8)21-3/h5-6H,1-4H3
InChIKey GJSHQZUHTZFSOL-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS-50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1940
Molecular Weight 334.288 g/mol
SMILES c1([n+](onc1-c1nnc(o1)-c1cc(c(c(c1)OC)OC)OC)[O-])C
SPLASH splash10-00kb-4923000000-a667eaf6c1b6b67879ac
Source of Spectrum Y-53-106-3i
Thin-Layer Chromatography Rf = 0.40 (CHCl3/EtOAc, 10:1)
Wiley ID 1877559