4-BROMOTHIOPHENE-2-CARBOXALDEHYDE ETHYLENE GLYCOL ACETAL(58267-85-9) 1H NMR
Molecular FormulaC7H7BrO2S
Molecular Weight235.1
InChIInChI=1S/C7H7BrO2S/c8-5-3-6(11-4-5)7-9-1-2-10-7/h3-4,7H,1-2H2
InChIKey GDNOSUAFGZBAOR-UHFFFAOYSA-N
SmilesO1CCOC1C1SC=C(Br)C=1
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Parameter ppm Hz
D(A) 6.99
D(B) 6.90
D(C) 5.96
J(A,B) 1.45
J(A,C) 0.0
J(B,C) 0.75
D(D) 3.87
GRONOWITZ,S. ET AL. ARK.KEMI. 21, 265 (1963)
Spectral Code: 1H NMR : parameter in cyclohexane