4-甲基十二烷(6117-97-1)紅外圖譜(IR1)
InChI:InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
InChIKey: UZTXSMATBUWDDZ-UHFFFAOYSA-N
Smiles:CCCC(C)CCCCCCCC
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Assign. Shift(ppm)
A 1.58 to 1.02
B 0.87
C 0.85
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
39.63 802 1
37.29 818 2
32.68 947 3 *
32.11 941 4 *
30.22 898 5 #
29.87 973 6 #
29.54 1000 7 #
27.26 866 8
22.83 914 9
20.29 877 10
19.74 765 11
14.45 759 12
14.14 872 13
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid