4-Methyldodecane(6117-97-1) IR1
Product Name4-Methyldodecane
CAS6117-97-1
Molecular FormulaC13H28
Molecular Weight184.36
InChIInChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
InChIKey UZTXSMATBUWDDZ-UHFFFAOYSA-N
SmilesCCCC(C)CCCCCCCC
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Assign. Shift(ppm)
A 1.58 to 1.02 B 0.87 C 0.85Spectral 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 13Spectral 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