3-Ethylhexane(619-99-8) IR1
Product Name3-Ethylhexane
CAS619-99-8
Molecular FormulaC8H18
Molecular Weight114.23
InChIInChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3
InChIKey SFRKSDZMZHIISH-UHFFFAOYSA-N
SmilesCCC(CC)CCC
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Assign. Shift(ppm)
A 1.28 B 1.28 C 1.21 D 1.18 E 0.884 F 0.835 J(A,E) = 7 HZ. J(B,F) = 7.4 HZSpectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
40.34 450 6 35.37 583 5 25.59 1000 4 20.06 512 3 14.55 526 2 10.93 948 1Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
