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1H-Pyrazole-5-acetic acid, 3-methyl-4-nitro-, ethyl ester
SpectraBase Compound ID GC1dIjWvmYt
InChI InChI=1S/C8H11N3O4/c1-3-15-7(12)4-6-8(11(13)14)5(2)9-10-6/h3-4H2,1-2H3,(H,9,10)
InChIKey OTJKAIGPVJZCPH-UHFFFAOYSA-N
Mol Weight 213.19 g/mol
Molecular Formula C8H11N3O4
Exact Mass 213.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yOmO9I7BPc
Name 1H-Pyrazole-5-acetic acid, 3-methyl-4-nitro-, ethyl ester
Alternate Name(s) Ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate Ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)ethanoate
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Formula C8H11N3O4
InChI InChI=1S/C8H11N3O4/c1-3-15-7(12)4-6-8(11(13)14)5(2)9-10-6/h3-4H2,1-2H3,(H,9,10)
InChIKey OTJKAIGPVJZCPH-UHFFFAOYSA-N
Molecular Weight 213.193 g/mol
SMILES [nH]1nc(c(c1CC(OCC)=O)N(=O)=O)C
SPLASH splash10-00dl-7900000000-89f4f0fdeb5a9a34162c
Source of Spectrum IY-2-5151-3
Wiley ID 1659496