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3-Formylthiophene-2-carboxylic acid methyl ester(67808-71-3) 1H NMR
Product Name3-Formylthiophene-2-carboxylic acid methyl ester
CAS67808-71-3
Molecular FormulaC7H6O3S
Molecular Weight170.19
InChIInChI=1S/C7H6O3S/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3
InChIKey PPNVUVBYMGWBSG-UHFFFAOYSA-N
SmilesC1(C(OC)=O)SC=CC=1C=O
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Parameter ppm Hz
D(A) 7.78 D(B) 7.53 D(C) 10.55 J(A,B) 5.25 J(A,C) 0.80 J(B,C) 0.20 D(D) 3.95 GRONOWITZ,S. ET AL. ARK.KEMI. 21, 265 (1963)Spectral Code: 1H NMR : parameter in acetone