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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 AFbixcfuKET
Name 4-(1-Methyl-5-nitro-2-imidazolyl)-3-buten-2-one
CAS Registry Number 52534-47-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6