十二烷酸异丁酯
产品名称
十二烷酸异丁酯
CAS号37811-72-6
分子式C16H32O2
分子量256.42
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3
InChIKeySZFOMJOELAAHAF-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)CCCCCCCCCCC
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Assign. Shift(ppm)
A 3.851
B 2.30
C 1.92
D 1.62
E 1.26
F 0.932
G 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.81 328 1
70.35 481 2
34.43 525 3
32.01 448 4
29.67 984 5 *
6 *
29.57 825 7 *
8 *
29.39 1000 9 *
10 *
27.85 497 11
25.13 459 12
22.76 448 13
19.14 738 14
14.12 399 15
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
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