己二酸(124-04-9)核磁圖(1HNMR)
InChI:InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
Smiles:C(O)(=O)CCCCC(O)=O
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Mass
MS-NW-0242
adipic acid
C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 0 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 2.3
18.0 5.1
26.0 5.2
27.0 25.8
28.0 14.0
29.0 20.7
30.0 1.3
31.0 6.6
38.0 1.9
39.0 17.4
40.0 2.2
41.0 48.2
42.0 27.0
43.0 52.1
44.0 2.0
45.0 27.3
46.0 1.0
50.0 1.6
51.0 1.5
53.0 5.4
54.0 14.7
55.0 32.6
56.0 8.6
57.0 7.6
58.0 11.9
59.0 6.2
60.0 49.6
61.0 1.6
68.0 8.2
69.0 43.1
70.0 1.9
72.0 1.1
73.0 29.5
74.0 3.6
81.0 1.0
82.0 7.0
83.0 6.6
84.0 1.0
85.0 1.8
86.0 2.8
87.0 40.5
88.0 2.0
99.0 2.3
100.0 100.0
101.0 8.0
102.0 2.1
110.0 3.2
111.0 1.7
112.0 1.4
128.0 17.9
129.0 3.8
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C6 H10 O4
|
0.043 g : 0.5 ml DMSO-d6
|
| adipic acid
|
 |
Assign. Shift(ppm)
A 12.0
B 2.21
C 1.51
|
Hz ppm Int.
1071.36 11.963 134
204.74 2.287 299
198.33 2.215 950
192.26 2.147 411
141.76 1.583 375
138.17 1.543 472
135.01 1.508 1000
131.68 1.471 439
128.09 1.431 251
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| 1H NMR |
399.65 MHz |
| C6 H10 O4
|
0.039 g : 0.5 ml DMSO-d6
|
| adipic acid
|
|
Assign. Shift(ppm)
A 12.0
B 2.210
C 1.501
|
Hz ppm Int.
4803.36 12.019 895
890.56 2.229 336
889.46 2.226 326
887.99 2.222 312
886.16 2.218 416
883.41 2.211 822
881.03 2.205 420
879.02 2.200 294
877.55 2.196 314
876.45 2.194 342
607.20 1.520 358
603.17 1.510 462
600.24 1.502 1000
596.94 1.494 421
594.19 1.487 242
593.09 1.485 295
TI(III) COMPLEX IN TOLUENE/BENZENE, X-BAND
TI(III) COMPLEX IN TOLUENE/BENZENE, HALF FIELD
TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K
TI(III) COMPLEX IN TOLUENE/BENZENE, S-BAND