2-Chloro-5-chloromethylthiophene(23784-96-5) IR1
Product Name2-Chloro-5-chloromethylthiophene
CAS23784-96-5
Molecular FormulaC5H4Cl2S
Molecular Weight167.06
InChIInChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChIKey MQTKXCOGYOYAMW-UHFFFAOYSA-N
SmilesC1(Cl)SC(CCl)=CC=1
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Parameter ppm Hz
D(A) 6.53 D(B) 6.64 D(C) 4.50 J(A,B) 3.7 J(A,C) 0.0 J(B,C) 0.7 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 36, 108 (1963)Spectral Code: 1H NMR : parameter neat
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ppm Int. Assign.
139.09 402 1 131.43 360 2 126.85 846 3 125.93 1000 4 40.26 801 5Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
