4-(Dimethylamino)-trans-chalcone(22965-98-6)质谱(MS)
InChI:InChI=1S/C17H17NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-13H,1-2H3/b13-10+
InChIKey: PDKPRWFMRVBCOB-JLHYYAGUSA-N
Smiles:C(C1=CC=CC=C1)(=O)/C=C/C1=CC=C(N(C)C)C=C1
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Mass
MS-NW-9752
trans-4-(dimethylamino)chalcone
C17H17NO (Mass of molecular ion: 251)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
77.0 3.8
102.0 1.1
103.0 1.8
105.0 2.5
111.5 2.3
120.0 1.8
121.0 13.7
121.5 2.3
122.0 1.2
130.0 2.9
131.0 2.7
144.0 3.0
145.0 1.6
146.0 10.6
147.0 1.2
158.0 1.1
165.0 1.1
174.0 33.7
175.0 4.3
178.0 4.1
179.0 5.0
206.0 1.2
207.0 10.1
208.0 3.3
222.0 10.8
223.0 4.5
234.0 7.5
235.0 2.1
236.0 1.9
250.0 33.0
251.0 100.0
252.0 18.6
253.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C17 H17 N O
|
0.037 g : 0.5 ml CDCl3
|
| trans-4-(dimethylamino)chalcone
|
 |
Assign. Shift(ppm)
A 7.990
B 7.77
C 7.61 to 7.42
D 7.34
E 6.672
F 3.008
90MHZ. : HSP-05-095
|
Hz ppm Int.
721.19 8.053 51
719.13 8.030 58
716.06 7.996 43
715.13 7.985 37
714.44 7.978 47
713.69 7.969 37
711.38 7.944 73
706.38 7.888 40
690.94 7.715 75
678.88 7.581 91
676.63 7.556 57
675.63 7.544 41
673.63 7.522 135
671.81 7.502 144
670.13 7.483 117
668.81 7.468 65
667.38 7.452 51
666.50 7.442 65
662.31 7.396 124
646.81 7.223 56
601.50 6.717 98
592.50 6.616 77
269.50 3.010 1000
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| 1H NMR |
399.65 MHz |
| C17 H17 N O
|
0.037 g : 0.5 ml CDCl3
|
| trans-4-(dimethylamino)chalcone
|
|
Assign. Shift(ppm)
A 7.997
B 7.788
C 7.54
D 7.53
E 7.473
F 7.328
G 6.672
J 3.010
J(B,F)=15.5Hz.
90 MHz : HSP-05-095
|
Hz ppm Int.
3201.29 8.011 71
3199.95 8.007 101
3198.49 8.004 58
3193.12 7.990 121
3191.65 7.987 92
3120.85 7.809 61
3105.35 7.771 72
3014.65 7.544 128
3012.08 7.537 84
3009.64 7.531 33
3007.69 7.526 43
3006.10 7.522 143
3005.62 7.521 134
3004.76 7.519 104
3003.30 7.515 54
2993.65 7.491 60
2992.92 7.489 90
2991.58 7.486 51
2986.94 7.474 60
2985.47 7.471 112
2978.52 7.453 51
2977.17 7.450 33
2936.04 7.347 117
2920.53 7.308 100
2670.90 6.684 113
2669.07 6.679 47
2663.94 6.666 35
2661.99 6.661 111
1203.25 3.011 1000