芥酸乙酯
产品名称
芥酸乙酯
CAS号37910-77-3
分子式C24H46O2
分子量366.62
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKeyWFZQLUSOXHIVKL-QXMHVHEDSA-N
SmilesC(OCC)(=O)CCCCCCCCCCC/C=C\CCCCCCCC
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Assign. Shift(ppm)
A *1 5.37
B *1 5.32
C 4.118
D 2.29
E 2.01
F 1.61
G 1.27
J 1.255
K 0.88
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.80 303 1
129.91 557 2
60.11 258 3
34.42 262 4
32.00 294 5
29.85 656 6
29.63 846 7
8 *
29.41 1000 9 *
10
29.24 416 11
27.28 516 12
25.06 290 13
22.75 317 14
14.28 249 15
14.13 271 16
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
芥酸乙酯(37910-77-3)红外图谱(IR1) 相关产品图谱