n-芐基苯甲酰胺(1485-70-7)質(zhì)譜(MS)
InChI:InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey: LKQUCICFTHBFAL-UHFFFAOYSA-N
Smiles:C(NCC1=CC=CC=C1)(=O)C1=CC=CC=C1
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Mass
MS-NW-6465
N-benzylbenzamide
C14H13NO (Mass of molecular ion: 211)
Source Temperature: 170 °C
Sample Temperature: 100 °C
Direct, 75 eV
17.0 1.0
18.0 5.7
27.0 1.2
28.0 4.2
39.0 2.6
50.0 3.3
51.0 11.1
52.0 1.5
63.0 1.3
65.0 4.0
74.0 1.2
76.0 2.1
77.0 41.9
78.0 5.4
79.0 4.5
89.0 1.3
91.0 9.1
103.0 1.1
104.0 3.8
105.0 100.0
106.0 29.3
107.0 3.4
132.0 1.0
134.0 1.5
181.0 1.8
182.0 1.4
194.0 1.0
210.0 25.4
211.0 81.5
212.0 12.8
213.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C14 H13 N O
|
0.040 g : 0.5 ml CDCl3
|
| N-benzylbenzamide
|
 |
Assign. Shift(ppm)
A 7.778
B 7.462
C 7.378
D 7.31
E 7.31
F 7.26
G 6.78
J 4.586
J(G,J) = 5.7 HZ.
|
Hz ppm Int.
3111.57 7.786 229
3106.45 7.773 87
3104.49 7.769 270
3103.03 7.765 208
2991.94 7.487 33
2990.72 7.484 55
2989.50 7.481 37
2985.47 7.471 47
2983.40 7.466 143
2981.45 7.461 52
2977.29 7.450 73
2975.95 7.447 114
2974.73 7.444 65
2954.96 7.394 200
2953.61 7.391 102
2948.49 7.378 173
2947.27 7.375 287
2941.53 7.361 64
2940.06 7.357 125
2935.30 7.345 31
2933.84 7.342 35
2932.74 7.339 41
2931.27 7.335 47
2924.44 7.318 411
2920.41 7.308 1000
2916.26 7.298 76
2914.55 7.293 67
2910.40 7.283 104
2907.35 7.275 87
2905.88 7.272 91
2901.73 7.261 87
2899.41 7.255 40
2896.85 7.249 50
2894.90 7.244 114
2707.89 6.776 42
1835.21 4.593 373
1829.47 4.578 365
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| 1H NMR |
89.56 MHz |
| C14 H13 N O
|
0.047 g : 0.5 ml CDCl3
|
| N-benzylbenzamide
|
|
Assign. Shift(ppm)
A 7.78
B 7.49 to 7.38
C 7.38 to 7.30
D 6.5
E 4.628
J(D,E)=5.7HZ
400MHZ : HSP-41-749
|
Hz ppm Int.
702.48 7.844 84
700.60 7.823 96
698.80 7.803 39
698.38 7.798 42
697.44 7.788 61
695.56 7.767 88
692.74 7.735 152
672.06 7.505 41
671.46 7.498 53
668.55 7.465 219
667.10 7.449 194
666.16 7.439 121
664.28 7.418 69
663.00 7.403 81
661.98 7.392 82
661.21 7.383 110
656.51 7.331 1000
652.66 7.288 52
417.33 4.660 226
411.61 4.596 211