Product Name3-Bromo-2,5-difluorothiophene
Molecular FormulaC4HBrF2S
Molecular Weight199.0165464
InChIInChI=1S/C4HBrF2S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey VUCCFIJPNMIFPY-UHFFFAOYSA-N
SmilesC1(F)SC(F)=CC=1Br
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Parameter ppm Hz
D(A) 6.031 D(X) 25.399 D(Y) 28.399 J(A,X) 2.81 J(A,Y) 3.43 J(X,Y) 25.06 CHRISTIANSEN,H. ET AL. ARK.KEMI. 30, 561 (1968) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane