Methyl thujate(54598-10-6) 1H NMR
Product NameMethyl thujate
CAS54598-10-6
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-11(2)7-4-5-9(6-8-11)10(12)13-3/h4-8H,1-3H3
InChIKey QZYLIXQVHZRYQQ-UHFFFAOYSA-N
SmilesC1(C(OC)=O)C=CC(C)(C)C=CC=1
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Parameter ppm Hz
D(A) 7.475 D(B) 6.629 D(C) 6.167 D(D) 5.365 D(E) 5.151 J(A,B) 1.20 J(A,C) 6.85 J(A,D) 0.54 J(A,E) 0.91 J(B,C) 0.59 J(B,D) -0.61 J(B,E) 10.38 J(C,D) 9.96 J(C,E) -0.62 J(D,E) 1.60 D(F) 1.001 D(G) 3.756 GUENTHER,H. ET AL. ORG.MAGN.RESON. 6, 388 (1974)Spectral Code: 1H NMR : parameter in CCl4