Product Name2-Bromomethyl-3-nitrothiophene
Molecular FormulaC5H4BrNO2S
Molecular Weight222.05976
InChIInChI=1S/C5H4BrNO2S/c6-3-5-4(7(8)9)1-2-10-5/h1-2H,3H2
InChIKey CDDKOVOXOBELRI-UHFFFAOYSA-N
SmilesC1(CBr)SC=CC=1[N+]([O-])=O
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Parameter ppm Hz
D(A) 7.20 D(B) 7.52 J(A,B) 5.5 D(C) 4.97 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 36, 108 (1931)Spectral Code: 1H NMR : parameter in CCl4