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1H-imidazole-1-acetic acid, 4-nitro-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-imidazole-1-acetic acid, 4-nitro-, ethyl ester
SpectraBase Compound ID DcFroYB3V1G
InChI InChI=1S/C7H9N3O4/c1-2-14-7(11)4-9-3-6(8-5-9)10(12)13/h3,5H,2,4H2,1H3
InChIKey WGFYNFMJQWDXRS-UHFFFAOYSA-N
Mol Weight 199.17 g/mol
Molecular Formula C7H9N3O4
Exact Mass 199.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhPoUq0fXh2
Name 2-(4-nitro-1-imidazolyl)acetic acid ethyl ester
Alternate Name(s) 2-(4-nitroimidazol-1-yl)acetic acid ethyl ester Ethyl 2-(4-nitroimidazol-1-yl)acetate Ethyl 2-(4-nitroimidazol-1-yl)ethanoate
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Formula C7H9N3O4
InChI InChI=1S/C7H9N3O4/c1-2-14-7(11)4-9-3-6(8-5-9)10(12)13/h3,5H,2,4H2,1H3
InChIKey WGFYNFMJQWDXRS-UHFFFAOYSA-N
Molecular Weight 199.166 g/mol
SMILES c1(N(=O)=O)nc[n](c1)CC(=O)OCC
SPLASH splash10-0a6s-9500000000-6a4057719a1f12d2ef40
Wiley ID 1448800