Product Name2-Nitro-5-(chloromethyl)thiophene
Molecular FormulaC5H4ClNO2S
Molecular Weight177.60876
InChIInChI=1S/C5H4ClNO2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
InChIKey KHXIFJKSANMLQD-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)SC(CCl)=CC=1
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Parameter ppm Hz
D(A) 7.74 D(B) 7.09 D(C) 4.85 J(A,B) 4.15 J(A,C) 0.0 J(B,C) 0.85 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 36, 108 (1963)Spectral Code: 1H NMR : parameter neat