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3-Methyl-5-(4-nitrophenyl)-1,2,4-oxadiazole 4-oxide
SpectraBase Compound ID 7yxDQqnjTkA
InChI InChI=1S/C9H7N3O4/c1-6-10-16-9(11(6)13)7-2-4-8(5-3-7)12(14)15/h2-5H,1H3
InChIKey QBBQIQBSSUKDQZ-UHFFFAOYSA-N
Mol Weight 221.17 g/mol
Molecular Formula C9H7N3O4
Exact Mass 221.043656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jGA4CeTHC3
Name 3-Methyl-5-(4-nitrophenyl)-1,2,4-oxadiazole 4-oxide
CAS Registry Number 59562-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O4
InChI InChI=1S/C9H7N3O4/c1-6-10-16-9(11(6)13)7-2-4-8(5-3-7)12(14)15/h2-5H,1H3
InChIKey QBBQIQBSSUKDQZ-UHFFFAOYSA-N
Molecular Weight 221.172 g/mol
SMILES c1([n+](c(no1)C)[O-])-c1ccc(N(=O)=O)cc1
SPLASH splash10-0uk9-0960000000-b7a361186b6f5ed64f06
Source of Spectrum J-41-2987-0
Synonyms 3-Methyl-5-(4-nitrophenyl)-4-oxidanidyl-1,2,4-oxadiazol-4-ium
Wiley ID 1221043