Product Name2-Ethylhexyl cyanoacetate
CAS13361-34-7
Molecular FormulaC11H19NO2
Molecular Weight197.27
InChIInChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
InChIKey ZNYBQVBNSXLZNI-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)CC#N

Mass
MS-IW-7189 2-ethylhexyl cyanoacetate C11H19NO2 (Mass of molecular ion: 197)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 9.9
28.0 3.9
29.0 17.4
31.0 1.2
38.0 1.2
39.0 10.6
40.0 9.5
41.0 57.6
42.0 13.4
43.0 34.9
44.0 9.6
53.0 3.4
54.0 3.2
55.0 67.2
56.0 29.1
57.0 100.0
58.0 5.9
67.0 4.4
68.0 16.6
69.0 20.7
70.0 83.4
71.0 12.7
72.0 1.3
81.0 1.5
82.0 4.3
83.0 37.9
84.0 12.6
85.0 1.0
86.0 2.4
97.0 3.2
98.0 1.6
99.0 3.3
110.0 2.1
111.0 2.2
112.0 18.1
113.0 2.3
114.0 1.2
126.0 2.1
138.0 1.0
140.0 2.8
154.0 3.3
168.0 4.1
169.0 1.6
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C11 H19 N O2 | 0.05 ml : 0.5 ml CDCl3 |
| 2-ethylhexyl cyanoacetate | |
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Assign. Shift(ppm) |
Hz ppm Int.
1663.57 4.163 33
1657.96 4.149 43
1652.83 4.136 251
1650.02 4.129 249
1647.09 4.122 248
1644.04 4.114 239
1639.16 4.102 38
1633.18 4.087 38
1400.27 3.504 35
1399.29 3.502 42
1395.51 3.492 1000
656.74 1.644 51
650.63 1.628 73
644.65 1.614 61
567.38 1.420 64
559.81 1.401 199
553.22 1.385 198
552.37 1.383 215
545.90 1.366 201
538.57 1.348 103
535.03 1.339 74
531.74 1.331 120
528.69 1.323 150
526.61 1.318 219
525.63 1.316 220
522.71 1.308 269
520.75 1.304 306
518.80 1.299 373
517.33 1.295 257
513.55 1.285 143
508.79 1.274 66
506.23 1.267 48
369.26 0.924 442
367.31 0.920 193
361.82 0.906 797
360.35 0.902 540
354.13 0.887 422
in CDCl3

liquid film

2-Ethylhexyl cyanoacetate (13361-34-7) IR1 Atlas of Related Products