Product Name1,7-Naphthylene=diacetate
CAS51850-49-8
Molecular FormulaC14H12O4
Molecular Weight244.24
InChIInChI=1S/C14H12O4/c1-9(15)17-12-7-6-11-4-3-5-14(13(11)8-12)18-10(2)16/h3-8H,1-2H3
InChIKey DFORSXGSAKHPPB-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=C2C(C=CC(OC(=O)C)=C2)=CC=C1
Parameter ppm Hz
D(A) 7.23 D(B) 7.35 D(C) 7.63 D(D) 7.78 D(E) 7.20 D(F) 7.57 J(A,B) 7.6 J(A,C) 2.2 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 8.2 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.4 J(D,E) 9.0 J(D,F) 0.6 J(E,F) 2.3 D(G) 2.26 D(H) 2.35 GRANGER,P. & MAUGRAS,M. ORG.MAGN.RESON. 7, 598 (1975) D(G) AND D(H) MAY BE REVERSED.
1,7-Naphthylene=diacetate(51850-49-8) 1H NMR Atlas of Related Products
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