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4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
SpectraBase Compound ID ATcKmWeY3aa
InChI InChI=1S/C12H10N4O4/c1-7-10(15-20-16(7)17)12-14-13-11(19-12)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3
InChIKey DJNSIWPAKKZFBX-UHFFFAOYSA-N
Mol Weight 274.24 g/mol
Molecular Formula C12H10N4O4
Exact Mass 274.070205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYiGKrpTVWU
Name 4-[5-(4-methoxyphenyl)-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 C12H10N4O4
InChI InChI=1S/C12H10N4O4/c1-7-10(15-20-16(7)17)12-14-13-11(19-12)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3
InChIKey DJNSIWPAKKZFBX-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS-50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1940
Molecular Weight 274.236 g/mol
SMILES c1([n+](onc1-c1nnc(o1)-c1ccc(cc1)OC)[O-])C
SPLASH splash10-01p9-1970000000-dc4b5b4ca773339af986
Source of Spectrum Y-53-106-3f
Thin-Layer Chromatography Rf = 0.49 (CHCl3/EtOAc, 8:1)
Wiley ID 1877556