1-金刚烷甲酸(828-51-3)核磁图(1HNMR)
InChI:InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N
Smiles:C12(C(O)=O)CC3CC(CC(C3)C1)C2
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Mass
MS-NW-2371
tricyclo(3.3.1.1(3,7))decane-1-carboxylic acid
C11H16O2 (Mass of molecular ion: 180)
Source Temperature: 280 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 4.9
27.0 2.5
28.0 1.1
29.0 1.6
39.0 4.7
41.0 6.0
51.0 1.3
53.0 2.6
55.0 3.7
56.0 1.4
65.0 1.8
66.0 1.0
67.0 6.7
69.0 1.7
77.0 5.5
78.0 2.5
79.0 19.7
80.0 2.9
81.0 5.2
91.0 5.1
92.0 2.6
93.0 16.8
94.0 2.3
95.0 2.2
105.0 1.2
107.0 5.6
134.0 1.1
135.0 100.0
136.0 14.0
180.0 3.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C11 H16 O2
|
0.043 g : 0.5 ml CDCl3
|
| tricyclo(3.3.1.1(3,7))decane-1-carboxylic acid
|
 |
Assign. Shift(ppm)
A 11.
B 2.026
C 1.911
D 1.72
J(B,C)=2.9HZ.
|
Hz ppm Int.
809.60 2.026 295
783.04 1.960 22
765.27 1.915 1000
762.34 1.908 833
711.05 1.780 21
702.08 1.757 96
699.51 1.751 82
688.89 1.724 445
687.42 1.721 452
685.04 1.715 414
675.33 1.690 47
674.42 1.688 47
672.59 1.683 67
672.04 1.682 67
669.11 1.675 37
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| 1H NMR |
89.56 MHz |
| C11 H16 O2
|
0.051 g : 0.5 ml CDCl3
|
| tricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid
|
|
Assign. Shift(ppm)
A 11.62
B 2.01
C 1.92
D 1.72
|
Hz ppm Int.
1041.81 11.633 49
1040.70 11.621 57
1040.14 11.614 58
1039.35 11.606 56
1038.95 11.601 55
1036.18 11.570 30
188.60 2.106 44
181.46 2.027 218
180.11 2.012 206
179.32 2.003 211
178.77 1.997 210
176.70 1.973 169
172.66 1.928 1000
170.20 1.901 621
164.40 1.836 35
163.93 1.831 31
156.63 1.749 485
154.01 1.720 734
TI(III) COMPLEX, IN TOLUENE/BENZENE, 77K
TI(III) COMPLEX, IN TOLUENE/BENZENE, RT