2-氯-5-氯甲基噻吩(23784-96-5)Raman光譜
InChI:InChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChIKey: MQTKXCOGYOYAMW-UHFFFAOYSA-N
Smiles:C1(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 5
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film