1-萘乙酮(941-98-0)Raman光譜
InChI:InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N
Smiles:C(=O)(C1=C2C(C=CC=C2)=CC=C1)C
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Mass
MS-NW-2226
1-acetonaphthone
C12H10O (Mass of molecular ion: 170)
Source Temperature: 280 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 1.2
39.0 1.6
43.0 8.4
50.0 2.9
51.0 5.2
62.0 1.8
63.0 6.6
63.5 5.4
64.0 1.1
74.0 3.9
75.0 5.8
76.0 2.9
77.0 8.6
77.5 1.9
78.0 1.0
85.0 1.9
86.0 1.1
87.0 1.6
98.0 1.2
101.0 5.6
102.0 1.4
115.0 2.7
126.0 10.5
127.0 86.3
128.0 15.7
129.0 1.2
139.0 1.9
141.0 2.1
155.0 100.0
156.0 12.1
169.0 1.2
170.0 53.2
171.0 7.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C12 H10 O
|
0.04 ml : 0.5 ml CDCl3
|
| 1-acetonaphthone
|
 |
Assign. Shift(ppm)
A 8.74
B 7.93
C 7.88
D 7.85
E *1 7.57
F *1 7.50
G 7.46
J 2.645
400MHZ : HSP-43-617
|
Hz ppm Int.
788.25 8.802 41
787.50 8.793 31
785.81 8.775 40
780.06 8.710 32
779.19 8.701 50
778.38 8.692 51
710.81 7.937 60
705.00 7.872 80
703.63 7.857 114
702.69 7.847 124
697.69 7.791 121
696.19 7.774 90
692.81 7.736 74
682.63 7.623 30
677.88 7.570 77
675.75 7.546 61
673.94 7.526 91
670.94 7.492 167
668.06 7.460 131
666.50 7.442 61
664.63 7.422 58
660.19 7.372 90
652.81 7.290 48
237.06 2.647 1000
235.13 2.626 104
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| 1H NMR |
399.65 MHz |
| C12 H10 O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-acetonaphthone
|
|
Assign. Shift(ppm)
A 8.755
B 7.886
C 7.822
D 7.783
E 7.541
F 7.458
G 7.380
J 2.645
ASSIGNED BY H-H COSY.
|
Hz ppm Int.
3503.05 8.766 99
3494.38 8.744 103
3156.25 7.898 101
3148.07 7.878 112
3130.49 7.834 111
3129.27 7.831 113
3123.17 7.815 122
3122.07 7.813 120
3115.84 7.797 86
3115.11 7.795 92
3114.38 7.793 93
3107.67 7.776 102
3106.93 7.775 105
3106.20 7.773 104
3022.95 7.564 50
3021.48 7.561 55
3016.11 7.547 77
3014.53 7.543 102
3012.94 7.539 57
3007.45 7.526 74
3005.98 7.522 73
2988.04 7.477 76
2986.82 7.474 86
2981.20 7.460 60
2979.98 7.457 115
2978.76 7.454 84
2973.02 7.440 50
2971.92 7.437 53
2956.91 7.399 115
2949.71 7.381 118
2948.73 7.379 131
2941.53 7.361 99
1057.37 2.646 1000