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1-[2-(4-methoxy-3-nitro-phenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (autogenerated)
SpectraBase Compound ID Hnb6oA1mlaM
InChI InChI=1S/C18H17N3O6/c1-11(22)20-18(13-6-9-16(26-3)15(10-13)21(23)24)27-17(19-20)12-4-7-14(25-2)8-5-12/h4-10,18H,1-3H3
InChIKey FBUFLQKKJUYYGJ-UHFFFAOYSA-N
Mol Weight 371.35 g/mol
Molecular Formula C18H17N3O6
Exact Mass 371.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64XnH0Ydf96
Name 1-[2-(4-methoxy-3-nitro-phenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (autogenerated)
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O6
InChI InChI=1S/C18H17N3O6/c1-11(22)20-18(13-6-9-16(26-3)15(10-13)21(23)24)27-17(19-20)12-4-7-14(25-2)8-5-12/h4-10,18H,1-3H3
InChIKey FBUFLQKKJUYYGJ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/jm901268n
Molecular Weight 371.349 g/mol
SMILES C(C)(=O)N1C(c2ccc(c(c2)[N+]([O-])=O)OC)OC(=N1)c1ccc(OC)cc1
SPLASH splash10-000i-0901000000-12feb32b4e0e40224388
Source of Spectrum AF-53-332-10c
Thin-Layer Chromatography Rf = 0.47 (methanol/chloroform, 2:98)
Wiley ID 1846153