TRANS-1,2-DIETHYLCYCLOPENTANE(932-40-1) 13C NMR
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/s3
InChIKey JKMYLSLBFNMSFP-JQEWEITDNA-N
Smiles[C@@H]1(CC)CCC[C@H]1CC |&1:0,6,r|
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Assign. Shift(ppm)
A 1.789
B *1 1.54
C *2 1.50
D *2 1.26
E *1 1.15
F 1.10
G 0.884
ASSIGNED BY H-H COSY.
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
47.72 1000 1
32.27 779 2
28.23 795 3
24.13 374 4
13.01 672 5
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film