3-(丁基苯氨基)丙腈
产品名称
3-(丁基苯氨基)丙腈
CAS号61852-40-2
分子式C13H18N2
分子量202.3
InChIInChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3
InChIKeyKMGZOJSHGRNXOC-UHFFFAOYSA-N
SmilesC(#N)CCN(CCCC)C1=CC=CC=C1
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Assign. Shift(ppm)
A 7.23
B 6.72
C 6.66
D 3.640
E 3.32
F 2.55
G 1.56
J 1.35
K 0.96
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
146.72 333 1
129.54 1000 2
118.48 323 3
117.23 527 4
112.64 914 5
51.17 462 6
47.17 511 7
29.51 441 8
20.23 484 9
15.80 495 10
13.96 430 11
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,150M,liquid
3-(丁基苯氨基)丙腈(61852-40-2)Raman光谱 相关产品图谱