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2-[N-(o-bromophenyl)formimidoyl]-5-nitrothiophene
SpectraBase Compound ID 1rzmtdwmryu
InChI InChI=1S/C11H7BrN2O2S/c12-9-3-1-2-4-10(9)13-7-8-5-6-11(17-8)14(15)16/h1-7H/b13-7+
InChIKey RWQDNXZFBHOUNW-NTUHNPAUSA-N
Mol Weight 311.15 g/mol
Molecular Formula C11H7BrN2O2S
Exact Mass 309.941162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUTDqHKwzbE
Name 2-[N-(o-Bromophenyl)formimidoyl]-5-nitrothiophene
Comments Computed using HOSE algorithm
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Exact Mass 309.941161645 u
Formula C11H7BrN2O2S
InChI InChI=1S/C11H7BrN2O2S/c12-9-3-1-2-4-10(9)13-7-8-5-6-11(17-8)14(15)16/h1-7H/b13-7+
InChIKey RWQDNXZFBHOUNW-NTUHNPAUSA-N
SMILES N(=O)(=O)C=1SC(=CC1)\C=N\C1=CC=CC=C1Br