Molecular FormulaC10H9NO3
Molecular Weight191.18
InChIInChI=1S/C10H9NO3/c1-7(12)14-10(2)5-8(6-11)3-4-9(10)13/h3-5H,1-2H3
InChIKey ZYSDZQLQOFITRH-UHFFFAOYSA-N
SmilesC1(C#N)C=CC(=O)C(OC(C)=O)(C)C=1
Parameter ppm Hz
D(A) 6.223 D(B) 6.941 D(C) 6.884 J(A,B) 10.06 J(A,C) 0.61 J(B,C) 2.28 D(D) 2.07 D(E) 1.407 BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)
Acetic acid 3-cyano-1-methyl-6-oxo-2,4-cyclohexadienyl ester(64248-41-5) 1H NMR Atlas of Related Products
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