3,5-二氯苯甲醛(10203-08-4)核磁圖(13CNMR)
InChI:InChI=1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey: CASRSOJWLARCRX-UHFFFAOYSA-N
Smiles:C(=O)C1=CC(Cl)=CC(Cl)=C1
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Mass
MS-NW-6387
3,5-dichlorobenzaldehyde
C7H4Cl2O (Mass of molecular ion: 174)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.7
28.0 1.5
29.0 5.5
35.0 1.0
36.0 2.5
37.0 5.1
38.0 2.8
49.0 3.2
50.0 13.4
51.0 4.6
54.5 1.2
55.0 1.4
60.0 1.4
61.0 2.8
62.0 1.6
63.0 1.1
72.0 1.3
73.0 6.8
74.0 23.3
75.0 32.6
76.0 3.2
84.0 4.5
85.0 4.9
86.0 2.1
87.0 1.9
108.0 1.3
109.0 14.2
110.0 7.6
111.0 21.8
112.0 3.7
113.0 6.0
145.0 36.1
146.0 9.7
147.0 23.0
148.0 6.6
149.0 4.1
150.0 1.1
173.0 100.0
174.0 78.5
175.0 70.2
176.0 50.1
177.0 14.5
178.0 8.3
400 MHz in CDCl3
90 MHz in CDCl3
parameter in CS2
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| 1H NMR |
399.65 MHz |
| C7 H4 Cl2 O
|
0.046 g : 0.5 ml CDCl3
|
| 3,5-dichlorobenzaldehyde
|
 |
Assign. Shift(ppm)
A 9.933
B 7.747
C 7.604
J(B,C)=2.0HZ.
|
Hz ppm Int.
3969.77 9.934 820
3099.18 7.755 33
3098.63 7.754 29
3096.61 7.749 1000
3094.60 7.744 831
3092.03 7.737 21
3041.11 7.610 248
3039.10 7.605 291
3037.27 7.600 200
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| 1H NMR |
89.56 MHz |
| C7 H4 Cl2 O
|
0.041 g : 0.5 ml CDCl3
|
| 3,5-dichlorobenzaldehyde
|
|
Assign. Shift(ppm)
A 9.928
B 7.737
C 7.602
J(B,C)=1.92HZ.
|
Hz ppm Int.
889.13 9.928 877
696.63 7.779 26
696.19 7.774 28
694.13 7.751 696
692.19 7.729 1000
689.63 7.701 33
684.25 7.641 28
682.38 7.620 335
680.38 7.597 318
678.56 7.577 187
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| 1H NMR |
300 MHz |
| C7 H4 Cl2 O
|
15 mol% in CS2
|
| 3,5-dichlorobenzaldehyde
|
|
Parameter ppm Hz
D(A) 7.660
D(B) 7.489
D(C) 9.883
J(A,B) 1.93
J(A,C) 0.10
J(B,C) 0.0
BELL,C.L. ET AL. CAN.J.CHEM. 47, 3529 (1969)
|
Hz ppm Int.
2964.91 9.883 918
2298.99 7.663 933
2297.07 7.657 1000
2248.59 7.495 276
2246.69 7.489 485
2244.76 7.483 240