Back ChemicalBook Home>CAS DataBase List>41169-55-5More Spectrum> (1α,6α)-1,3,6-Trimethylbicyclo[4.1.0]heptane-3α-carboxylic acid methyl ester(41169-55-5) 1H NMR
(1α,6α)-1,3,6-Trimethylbicyclo[4.1.0]heptane-3α-carboxylic acid methyl ester(41169-55-5) 1H NMR
Product Name(1α,6α)-1,3,6-Trimethylbicyclo[4.1.0]heptane-3α-carboxylic acid methyl ester
CAS41169-55-5
Molecular FormulaC12H20O2
Molecular Weight196.286
InChIInChI=1/C12H20O2/c1-10(9(13)14-4)5-6-11(2)8-12(11,3)7-10/h5-8H2,1-4H3/t10-,11+,12-/s3
InChIKey LGPBWJOPAJHSIQ-ACBRSNIYNA-N
Smiles[C@@]12(C)[C@@](C)(C1)C[C@](C)(C(OC)=O)CC2 |&1:0,2,6,r|
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Parameter ppm Hz
D(A) 1.24 D(B) 2.17 D(C) 0.95 D(D) 1.77 D(E) 1.71 D(F) 1.35 J(A,B) -14.2 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 0.0 J(B,D) 2.1 J(B,E) 0.0 J(B,F) 0.0 J(C,D) -14.0 J(C,E) 4.8 J(C,F) 14.0 J(D,E) 2.2 J(D,F) 5.0 J(E,F) -14.0 D(G) 0.22 D(J) 0.04 J(G,J) -5.0 D(K) 3.65 D(L) 1.15 D(M) 1.04 D(N) 1.02 PIZZALA,L. ET AL. ORG.MAGN.RESON. 9, 260 (1977) THE ASSIGNMENT FOR THREE CH3-GROUPS ARE INTERCHANGABLE.Spectral Code: 1H NMR : parameter in CCl4