2-乙基己酸正丁酯(68443-63-0)Raman光谱
InChI:InChI=1S/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3
InChIKey: USPADFUBVAGYOJ-UHFFFAOYSA-N
Smiles:C(OCCCC)(=O)C(CC)CCCC
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Assign. Shift(ppm)
A 4.08
B 2.26
C 1.86 to 1.10
D 0.93
E 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
176.49 508 1
63.89 784 2
47.51 1000 3
31.91 859 4
30.89 889 5
29.73 899 6
25.59 698 7
22.71 764 8
19.26 899 9
13.96 704 10 *
13.71 759 11 *
11.88 744 12
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