1-羟基吩嗪(528-71-2)质谱(MS)
InChI:InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H
InChIKey: SVRNCBGWUMMBQB-UHFFFAOYSA-N
Smiles:C1(O)C2C(=NC3C(N=2)=CC=CC=3)C=CC=1
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Mass
MS-NW-1954
1-phenazinol
C12H8N2O (Mass of molecular ion: 196)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Reservoir, 75 eV
17.0 1.2
18.0 6.5
28.0 2.3
37.0 1.1
38.0 2.6
39.0 8.3
50.0 4.1
51.0 4.1
52.0 1.7
62.0 1.6
63.0 4.6
64.0 2.9
65.0 1.4
70.5 3.4
75.0 2.5
76.0 3.7
77.0 13.7
78.0 2.5
83.5 1.1
84.0 5.7
90.0 1.3
98.0 2.6
102.0 2.3
113.0 1.0
114.0 2.3
115.0 1.3
118.0 1.1
129.0 1.1
140.0 4.3
141.0 1.6
142.0 2.8
167.0 6.0
168.0 57.3
169.0 7.4
196.0 100.0
197.0 14.0
198.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C12 H8 N2 O
|
saturated in CDCl3
|
| 1-phenazinol
|
 |
Assign. Shift(ppm)
A 8.33
B *1 8.217
C *1 8.121
D *2 7.80
E *2 7.76
F 7.75
G 7.73
J 7.209
|
Hz ppm Int.
3328.13 8.328 208
3289.67 8.232 189
3288.94 8.230 207
3287.48 8.226 257
3281.49 8.211 180
3280.40 8.209 220
3279.54 8.207 216
3278.81 8.205 215
3250.49 8.134 182
3249.76 8.132 194
3248.78 8.130 192
3247.68 8.127 165
3241.82 8.112 270
3240.36 8.108 206
3239.62 8.107 197
3132.81 7.839 31
3126.46 7.823 115
3124.76 7.819 145
3123.29 7.816 62
3121.58 7.811 45
3119.75 7.807 277
3118.16 7.803 261
3116.21 7.798 126
3115.11 7.795 57
3111.57 7.786 385
3109.25 7.780 400
3104.61 7.769 163
3102.91 7.765 322
3101.20 7.760 258
3096.19 7.748 786
3094.24 7.743 1000
3087.77 7.727 502
3085.45 7.721 64
3078.86 7.704 145
2885.38 7.220 344
2883.42 7.215 313
2878.91 7.204 301
2876.83 7.199 308
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| 1H NMR |
89.56 MHz |
| C12 H8 N2 O
|
0.036 g : 0.5 ml CDCl3
|
| 1-phenazinol
|
|
Assign. Shift(ppm)
A 8.29 to 8.14
B 7.88 to 7.71
C 7.222
|
Hz ppm Int.
744.38 8.312 88
743.63 8.304 110
742.25 8.288 38
741.00 8.274 127
739.69 8.260 141
738.44 8.246 187
737.69 8.237 160
736.00 8.218 163
735.56 8.214 133
734.19 8.198 150
733.44 8.190 241
731.19 8.165 143
729.31 8.144 33
728.19 8.131 169
727.44 8.123 135
725.06 8.096 48
723.81 8.082 30
708.69 7.914 71
706.94 7.894 56
705.00 7.872 265
704.25 7.864 289
702.94 7.849 41
702.00 7.839 176
700.38 7.821 209
698.69 7.802 173
697.06 7.784 1000
694.38 7.754 330
693.44 7.743 477
692.13 7.729 476
690.19 7.707 69
683.19 7.629 45
650.75 7.267 246
647.13 7.226 181
645.81 7.211 181
642.13 7.170 169