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Product Name1,1,3-TRIMETHYLCYCLOHEXANE
CAS3073-66-3
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKey PYOLJOJPIPCRDP-UHFFFAOYSA-N
SmilesC1(C)(C)CCCC(C)C1
1HNMR
13CNMR
IR1
90 MHz in CDCl3
Assign. Shift(ppm) A 1.64 B *1 1.51 C *1 1.51 D 1.41 E *2 1.32 F *2 1.32 G 1.03 J 0.87 K 0.83 L 0.75 M 0.71 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.
139.75 1.561 45 136.31 1.522 27 133.63 1.493 40 130.88 1.462 46 128.00 1.430 49 126.88 1.417 46 126.75 1.416 46 125.75 1.405 48 122.31 1.366 28 121.38 1.356 25 119.75 1.338 23 116.69 1.303 31 112.75 1.259 100 103.69 1.158 22 78.56 0.878 1000 77.06 0.861 302 73.06 0.816 40 70.94 0.793 169 65.81 0.735 37
in CDCl3
liquid film
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1,1,3-TRIMETHYLCYCLOHEXANE(3073-66-3) 13C NMR Atlas of Related Products