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Methyl 3-(4-nitro-1H-imidazol-1-yl)propanoate
SpectraBase Compound ID DZykUEtVqQG
InChI InChI=1S/C7H9N3O4/c1-14-7(11)2-3-9-4-6(8-5-9)10(12)13/h4-5H,2-3H2,1H3
InChIKey FCVZCNRQXHYTAW-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 DtqIW4pNEdk
Name Methyl 3-(4-nitro-1H-imidazol-1-yl)propanoate
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O4
InChI InChI=1S/C7H9N3O4/c1-14-7(11)2-3-9-4-6(8-5-9)10(12)13/h4-5H,2-3H2,1H3
InChIKey FCVZCNRQXHYTAW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A/5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.24
Molecular Weight 199.166 g/mol
SMILES COC(CC[n]1cnc(c1)[N+](=O)[O-])=O
SPLASH splash10-000f-4900000000-769633ee75a2cd0985c7
Source of Spectrum BJO-7-SM3-3c
Wiley ID 1867211