Molecular Formula
Molecular Weight
InChIInChI=1S/C10H12O3/c1-7-4-5-9(12)10(3,6-7)13-8(2)11/h4-6H,1-3H3
InChIKey PPWCHXGMDZVEST-UHFFFAOYSA-N
SmilesC(OC1(C)C(=O)C=CC(C)=C1)(=O)C
Parameter ppm Hz
D(A) 6.00 D(B) 6.73 D(C) 5.80 D(D) 1.95 J(A,B) 9.8 J(A,C) 0.8 J(A,D) 0.5 J(B,C) 2.4 J(B,D) 0.3 J(C,D) 1.5 D(E) 2.00 D(F) 1.27 BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)
Acetic acid 1,3-dimethyl-6-oxo-2,4-cyclohexadienyl ester(7277-36-3) 1H NMR Atlas of Related Products
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