吲哚-3-丙酮(1201-26-9)質(zhì)譜(MS)
InChI:InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3
InChIKey: LDVHYJKRIKBISQ-UHFFFAOYSA-N
Smiles:C(C1C2=C(NC=1)C=CC=C2)C(=O)C
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Mass
MS-NW-6695
(3-indolyl)acetone
C11H11NO (Mass of molecular ion: 173)
Source Temperature: 160 °C
Sample Temperature: 110 °C
Direct, 75 eV
15.0 1.4
28.0 1.0
39.0 1.4
43.0 4.7
50.0 1.7
51.0 3.6
52.0 1.4
63.0 1.9
65.0 1.3
74.0 1.3
75.0 2.0
76.0 2.3
77.0 10.7
78.0 1.1
101.0 1.2
102.0 4.4
103.0 7.7
128.0 2.5
129.0 3.7
130.0 100.0
131.0 10.2
173.0 21.7
174.0 2.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C11 H11 N O
|
0.025 g : 0.5 ml CDCl3
|
| (3-indolyl)acetone
|
 |
Assign. Shift(ppm)
A 8.26
B 7.529
C 7.318
D 7.193
E 7.128
F 7.035
G 3.805
J 2.155
90MHZ : HSP-03-604
|
Hz ppm Int.
3301.51 8.262 37
3012.94 7.539 116
3005.13 7.520 127
2928.83 7.329 110
2920.90 7.309 147
2882.57 7.213 63
2881.71 7.211 68
2874.63 7.193 125
2867.55 7.176 77
2866.58 7.173 77
2855.71 7.146 94
2854.74 7.144 102
2847.78 7.126 133
2840.70 7.108 56
2839.97 7.107 58
2812.50 7.038 155
2810.91 7.034 157
1520.63 3.805 531
861.45 2.156 1000
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| 1H NMR |
89.56 MHz |
| C11 H11 N O
|
0.040 g : 0.5 ml CDCl3
|
| (3-indolyl)acetone
|
|
Assign. Shift(ppm)
A 8.3
B 7.51
C 7.29
D 7.17
E 7.11
F 6.990
G 3.787
J 2.140
|
Hz ppm Int.
678.06 7.572 39
676.63 7.556 32
672.00 7.504 45
668.94 7.470 66
655.50 7.320 30
654.13 7.304 36
651.25 7.272 73
649.88 7.257 106
648.94 7.246 131
647.31 7.228 52
645.38 7.207 72
644.38 7.195 132
642.56 7.175 191
638.69 7.132 103
635.63 7.098 85
634.94 7.090 63
633.31 7.072 65
629.25 7.027 33
627.13 7.003 98
625.00 6.979 96
339.19 3.788 386
191.69 2.141 1000