2-溴-4-氟噻吩
产品名称
2-溴-4-氟噻吩
CAS号32431-65-5
分子式C4H2BrFS
分子量181.03
InChIInChI=1S/C4H2BrFS/c5-4-1-3(6)2-7-4/h1-2H
InChIKeyUWXVZGDRWPSION-UHFFFAOYSA-N
SmilesC1(Br)SC=C(F)C=1
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Parameter ppm Hz
D(A) 6.46
D(B) 6.71
D(X) 37.76
J(A,B) 1.90
J(A,X) 1.88
J(B,X) -0.96
RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971)
F-19 REFERENCE:HEXAFLUOROBENZENE.
Spectral Code: 1H NMR : parameter in cyclohexane