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3-methyl-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2-oxido-1,2,5-oxadiazol-2-ium
SpectraBase Compound ID GwvJQsB4aC9
InChI InChI=1S/C11H7N5O5/c1-6-9(14-21-16(6)19)11-13-12-10(20-11)7-2-4-8(5-3-7)15(17)18/h2-5H,1H3
InChIKey HMINXQAXZRCWNL-UHFFFAOYSA-N
Mol Weight 289.21 g/mol
Molecular Formula C11H7N5O5
Exact Mass 289.044718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TU4UuW3EpX
Name 3-methyl-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2-oxido-1,2,5-oxadiazol-2-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N5O5
InChI InChI=1S/C11H7N5O5/c1-6-9(14-21-16(6)19)11-13-12-10(20-11)7-2-4-8(5-3-7)15(17)18/h2-5H,1H3
InChIKey HMINXQAXZRCWNL-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS-50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1940
Molecular Weight 289.207 g/mol
SMILES c1([n+](onc1-c1nnc(o1)-c1ccc(cc1)[N+]([O-])=O)[O-])C
SPLASH splash10-004i-1390000000-84c7ca690541f7bb7d89
Source of Spectrum Y-53-106-3e
Thin-Layer Chromatography Rf = 0.67 (CHCl3/EtOAc, 10:1)
Wiley ID 1877555