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3-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-methyl-2-oxido-1,2,5-oxadiazol-2-ium
SpectraBase Compound ID B9BRcAYptE
InChI InChI=1S/C12H10N4O3/c1-8-11(16(17)19-15-8)12-14-13-10(18-12)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey OZHQDUYFOTWSNF-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C12H10N4O3
Exact Mass 258.07529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52CL2MH8Yty
Name 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-methyl-2-oxido-1,2,5-oxadiazol-2-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O3
InChI InChI=1S/C12H10N4O3/c1-8-11(16(17)19-15-8)12-14-13-10(18-12)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey OZHQDUYFOTWSNF-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS-50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1940
Molecular Weight 258.237 g/mol
SMILES c1(no[n+](c1-c1nnc(o1)Cc1ccccc1)[O-])C
SPLASH splash10-016r-9200000000-d24fcc863926a7dfc176
Source of Spectrum Y-53-106-3a'
Thin-Layer Chromatography Rf = 0.36 (CH2Cl2/EtOAc, 6:1)
Wiley ID 1877550