Product Name5-tert-Butyl-6-oxo-2,4-cyclohexadienylidenediacetate
CAS7244-04-4
Molecular Formula
Molecular Weight
InChIInChI=1S/C14H18O5/c1-9(15)18-14(19-10(2)16)8-6-7-11(12(14)17)13(3,4)5/h6-8H,1-5H3
InChIKey XCEKZPYZBHDPAB-UHFFFAOYSA-N
SmilesC1(OC(=O)C)(OC(=O)C)C(=O)C(C(C)(C)C)=CC=C1
Parameter ppm Hz
D(A) 6.56 D(B) 6.33 D(C) 6.02 J(A,B) 6.4 J(A,C) 1.7 J(B,C) 9.7 D(D) 2.04 D(E) 1.20 BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)
5-tert-Butyl-6-oxo-2,4-cyclohexadienylidenediacetate(7244-04-4) 1H NMR Atlas of Related Products
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