苯基脲(64-10-8)紅外圖譜(IR2)
InChI:InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey: LUBJCRLGQSPQNN-UHFFFAOYSA-N
Smiles:N(C1=CC=CC=C1)C(N)=O
-
Mass
MS-NW-0195
phenylurea
C7H8N2O (Mass of molecular ion: 136)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 1.5
27.0 1.1
28.0 2.2
37.0 1.4
38.0 3.9
39.0 13.5
40.0 2.4
41.0 2.3
43.0 1.0
44.0 7.9
50.0 2.7
51.0 4.1
52.0 2.7
54.0 2.1
62.0 1.9
63.0 4.4
64.0 3.9
65.0 17.5
66.0 25.7
67.0 2.8
77.0 3.6
78.0 1.2
91.0 3.2
92.0 10.3
93.0 100.0
94.0 7.4
119.0 2.8
136.0 39.1
137.0 3.5
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H8 N2 O
|
0.040 g : 0.5 ml DMSO-d6
|
| phenylurea
|
 |
Assign. Shift(ppm)
A 8.53
B 7.411
C 7.221
D 6.898
E 5.88
|
Hz ppm Int.
3410.89 8.535 540
2967.04 7.425 719
2965.94 7.422 856
2963.99 7.417 274
2958.37 7.403 1000
2957.40 7.400 851
2955.20 7.395 136
2895.75 7.246 141
2893.80 7.241 733
2891.85 7.236 248
2888.43 7.228 200
2886.47 7.223 950
2885.38 7.220 768
2879.76 7.206 259
2877.93 7.202 638
2875.85 7.196 94
2764.89 6.919 206
2763.79 6.916 358
2762.57 6.913 211
2757.57 6.900 313
2756.47 6.898 603
2755.37 6.895 312
2750.24 6.882 175
2749.02 6.879 280
2747.92 6.876 158
2349.73 5.880 693
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| 1H NMR |
89.56 MHz |
| C7 H8 N2 O
|
0.048 g : 0.5 ml DMSO-d6
|
| phenylurea
|
|
Assign. Shift(ppm)
A 8.49
B 7.39
C 7.22
D 6.905
E 5.83
|
Hz ppm Int.
760.25 8.489 323
670.81 7.491 44
669.19 7.472 355
667.56 7.454 554
665.31 7.429 177
663.75 7.412 60
662.38 7.396 243
661.44 7.386 448
660.31 7.373 1000
659.06 7.359 885
656.75 7.334 175
654.63 7.310 216
653.81 7.301 449
653.13 7.293 676
650.94 7.269 172
649.56 7.253 49
648.38 7.240 170
646.81 7.223 606
646.13 7.215 823
644.19 7.193 314
642.31 7.172 44
639.81 7.144 194
638.13 7.126 370
635.75 7.099 58
624.94 6.978 252
623.44 6.962 469
621.75 6.943 250
618.81 6.910 168
617.06 6.890 333
616.38 6.883 373
613.94 6.856 125
610.88 6.821 105
609.50 6.806 166
608.00 6.789 94
521.75 5.826 501