Molecular FormulaC11H11NO3
Molecular Weight205.21
InChIInChI=1S/C11H11NO3/c1-7-5-11(3,15-8(2)13)10(14)4-9(7)6-12/h4-5H,1-3H3
InChIKey GHQWNPIRQDDPCM-UHFFFAOYSA-N
SmilesC1(C#N)C(C)=CC(OC(C)=O)(C)C(=O)C=1
Parameter ppm Hz
D(A) 6.56 D(B) 5.95 D(C) 2.14 J(A,B) 0.8 J(A,C) 0.5 J(B,C) 1.7 D(D) 2.04 D(E) 1.32 BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)
Acetic acid 4-cyano-1,3-dimethyl-6-oxo-2,4-cyclohexadienyl ester(64248-44-8) 1H NMR Atlas of Related Products
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