2,6-DIMETHYLOCTANE(2051-30-1) IR1
Product Name2,6-DIMETHYLOCTANE
CAS2051-30-1
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKey ZALHPSXXQIPKTQ-UHFFFAOYSA-N
SmilesCC(C)CCCC(C)CC
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Assign. Shift(ppm)
A 1.526 B 1.34 C 1.29 D 1.29 E 1.26 F 1.23 G 1.15 J 1.15 K 1.08 L 0.869 M 0.857 N 0.846 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(A,L)=6.64HZ. J(C,N)=7.47HZ.Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
39.57 581 7 37.07 539 5 34.62 471 3 29.67 576 2 28.13 440 8 24.99 571 6 22.73 1000 9 19.30 571 4 11.45 497 1Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film