油酸(112-80-1)Raman光谱
InChI:InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Smiles:C(O)(=O)CCCCCCC/C=C\CCCCCCCC
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Mass
MS-NW-5537
oleic acid
C18H34O2 (Mass of molecular ion: 282)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 3.5
27.0 15.3
28.0 4.0
29.0 31.0
30.0 1.0
31.0 1.4
39.0 12.7
40.0 2.8
41.0 75.3
42.0 13.5
43.0 55.0
44.0 2.1
45.0 5.5
51.0 1.0
53.0 7.9
54.0 24.1
55.0 100.0
56.0 34.6
57.0 44.0
58.0 2.4
59.0 3.5
60.0 22.2
61.0 4.7
65.0 2.4
66.0 2.4
67.0 35.4
68.0 26.0
69.0 75.8
70.0 32.1
71.0 20.7
72.0 1.3
73.0 27.1
74.0 3.0
77.0 2.9
78.0 1.3
79.0 8.7
80.0 5.9
81.0 30.9
82.0 26.8
83.0 59.4
84.0 30.2
85.0 12.7
86.0 1.3
87.0 8.4
88.0 1.1
91.0 3.3
92.0 1.0
93.0 5.2
94.0 5.5
95.0 22.5
96.0 24.7
97.0 44.4
98.0 25.6
99.0 5.3
100.0 5.2
101.0 9.3
102.0 1.5
105.0 2.2
107.0 3.6
108.0 4.2
109.0 12.5
110.0 16.4
111.0 21.3
112.0 10.1
113.0 3.7
114.0 9.4
115.0 7.0
116.0 1.9
119.0 2.8
120.0 1.2
121.0 4.1
122.0 3.0
123.0 10.4
124.0 9.6
125.0 10.7
126.0 5.6
127.0 5.4
128.0 2.1
129.0 9.7
130.0 1.6
133.0 2.8
134.0 2.3
135.0 3.3
136.0 2.0
137.0 7.1
138.0 7.1
139.0 6.3
140.0 3.3
141.0 2.1
143.0 2.7
147.0 2.6
148.0 1.8
149.0 2.6
150.0 1.6
151.0 5.6
152.0 5.2
153.0 3.9
154.0 2.0
155.0 1.5
157.0 2.2
161.0 1.7
163.0 1.3
164.0 1.1
165.0 3.8
166.0 3.4
167.0 2.6
168.0 1.3
169.0 1.6
171.0 2.2
174.0 1.5
175.0 1.2
179.0 2.3
180.0 3.6
181.0 1.9
182.0 1.0
185.0 3.4
186.0 1.1
193.0 1.9
194.0 2.2
195.0 1.2
199.0 1.4
207.0 1.6
208.0 1.6
213.0 1.6
220.0 3.3
221.0 2.1
222.0 3.8
223.0 1.3
228.0 1.6
235.0 1.2
236.0 2.5
246.0 1.2
256.0 2.0
264.0 13.9
265.0 3.3
280.0 2.2
282.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C18 H34 O2
|
0.05 ml : 0.5 ml CDCl3
|
| oleic acid
|
 |
Assign. Shift(ppm)
A 5.34
B 2.344
C 2.011
D 1.631
E 1.35
F 1.31
G 1.27
J 0.879
|
Hz ppm Int.
2142.46 5.361 102
2141.36 5.359 81
2138.79 5.352 131
2136.72 5.347 237
2135.74 5.345 243
2133.67 5.339 138
2133.18 5.338 138
2130.98 5.333 81
2130.00 5.330 109
944.95 2.365 171
937.50 2.346 306
929.81 2.327 202
806.76 2.019 261
800.90 2.005 246
794.92 1.990 111
659.42 1.650 101
652.34 1.633 150
645.02 1.614 127
639.04 1.599 61
637.57 1.596 62
523.93 1.311 812
515.01 1.289 540
506.71 1.268 1000
358.52 0.898 250
351.81 0.881 774
344.73 0.863 303
-
| 1H NMR |
89.56 MHz |
| C18 H34 O2
|
0.04 ml : 0.5 ml CDCl3
|
| oleic acid
|
|
Assign. Shift(ppm)
A 11.
B *1 5.35
C *1 5.33
D 2.331
E 2.00
F 1.63
G 1.45 to 1.23
J 0.882
|
Hz ppm Int.
484.24 5.407 54
483.30 5.397 65
480.05 5.361 72
478.60 5.344 168
473.99 5.293 64
473.13 5.283 60
216.87 2.422 48
210.29 2.349 130
202.69 2.264 108
186.71 2.085 48
184.66 2.062 65
182.95 2.043 93
181.67 2.029 87
180.81 2.019 81
180.21 2.013 80
177.56 1.983 102
177.22 1.979 100
173.21 1.935 54
172.78 1.930 52
146.63 1.638 46
145.69 1.627 48
132.19 1.476 47
131.34 1.467 48
127.06 1.419 102
125.44 1.401 107
124.33 1.389 116
123.73 1.382 120
117.58 1.313 652
113.22 1.265 1000
103.82 1.160 48
84.17 0.940 84
83.06 0.928 74
81.69 0.913 70
78.78 0.880 246
74.85 0.836 51
74.17 0.829 55
72.97 0.815 64