2-乙基己酸甲酯(816-19-3)核磁圖(1HNMR)
InChI:InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey: KICUISADAVMYCJ-UHFFFAOYSA-N
Smiles:C(OC)(=O)C(CC)CCCC
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Assign. Shift(ppm)
A 3.674
B 2.275
C *1 1.63
D *2 1.58
E *1 1.52
F *2 1.45
G 1.30
J 1.24
K 0.885
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
176.84 386 1
51.22 788 2
47.38 1000 3
31.93 937 4
29.78 872 5
25.59 939 6
22.73 907 7
13.97 807 8
11.88 762 9
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film