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4-(1-METHYL-5-NITROIMIDAZOL-2-YL)-3-BUTEN-2-ONE
SpectraBase Compound ID 8Edp86N5o8i
InChI InChI=1S/C8H9N3O3/c1-6(12)3-4-7-9-5-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+
InChIKey JALXYVRWWDPIGM-ONEGZZNKSA-N
Mol Weight 195.18 g/mol
Molecular Formula C8H9N3O3
Exact Mass 195.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5QazxbpgXw
Name 4-(1-METHYL-5-NITROIMIDAZOL-2-YL)-3-BUTEN-2-ONE
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1985)
CAS Registry Number 52534-47-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3O3
InChI InChI=1S/C8H9N3O3/c1-6(12)3-4-7-9-5-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+
InChIKey JALXYVRWWDPIGM-ONEGZZNKSA-N
Molecular Weight 195.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker AM-270
Synonyms 3-BUTEN-2-ONE, 4-/1-METHYL-5-NITROIMIDAZOL-2-YL/-,