9-芴酮-2-羧酸(784-50-9)質(zhì)譜(MS)
InChI:InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)
InChIKey: BJCTXUUKONLPPK-UHFFFAOYSA-N
Smiles:C1(=O)C2=C(C=CC=C2)C2=C1C=C(C(O)=O)C=C2
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Mass
MS-NW-6627
9-oxo-2-fluorenecarboxylic acid
C14H8O3 (Mass of molecular ion: 224)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Direct, 75 eV
18.0 1.1
38.0 1.0
39.0 2.2
45.0 2.4
50.0 3.8
51.0 4.4
61.0 1.8
62.0 3.9
63.0 3.8
73.0 1.0
74.0 7.7
75.0 11.7
75.5 6.4
76.0 4.1
77.0 3.2
84.0 3.2
85.0 1.2
86.0 3.0
87.0 3.0
89.0 1.3
98.0 6.3
99.0 4.1
100.0 1.7
101.0 2.3
110.0 1.4
111.0 1.7
112.0 1.0
113.0 1.1
122.0 1.5
123.0 1.2
125.0 4.1
126.0 1.6
139.0 6.0
140.0 1.4
149.0 2.3
150.0 23.3
151.0 49.8
152.0 8.7
178.0 1.4
179.0 20.9
180.0 4.6
196.0 4.2
207.0 51.2
208.0 8.0
222.0 3.3
223.0 1.0
224.0 100.0
225.0 15.9
226.0 1.9
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C14 H8 O3
|
saturated in DMSO-d6
|
| 9-oxo-2-fluorenecarboxylic acid
|
 |
Assign. Shift(ppm)
A 8.174
B 8.012
C 7.906
D 7.88
E *1 7.67
F 7.661
G *1 7.465
J(A,B)=1.5HZ
J(A,C)=7.8HZ
J(B,C)=0.6HZ
|
Hz ppm Int.
3271.94 8.188 423
3270.42 8.184 423
3264.16 8.168 488
3262.63 8.164 510
3202.82 8.015 694
3201.75 8.012 677
3163.76 7.917 593
3163.30 7.916 549
3160.55 7.909 40
3155.98 7.897 565
3155.36 7.896 552
3154.60 7.894 392
3153.69 7.892 463
3152.16 7.888 159
3150.48 7.884 54
3149.72 7.882 55
3146.67 7.874 423
3145.45 7.871 385
3073.43 7.691 214
3072.36 7.688 262
3065.64 7.671 953
3061.98 7.662 72
3059.39 7.656 409
3058.01 7.652 1000
2990.88 7.484 288
2989.96 7.482 292
2986.91 7.474 33
2983.40 7.466 500
2978.67 7.454 33
2978.06 7.452 31
2975.92 7.447 215
2975.01 7.445 207
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| 1H NMR |
89.56 MHz |
| C14 H8 O3
|
0.048 g : 0.5 ml DMSO-d6
|
| 9-oxo-2-fluorenecarboxylic acid
|
|
Assign. Shift(ppm)
A 13.2
B 8.152
C 7.999
D 7.86
E 7.93 to 7.33
|
Hz ppm Int.
735.80 8.216 401
734.27 8.199 477
728.11 8.130 638
726.49 8.112 846
717.43 8.011 756
716.75 8.004 997
715.89 7.994 884
715.21 7.986 638
712.48 7.956 54
708.29 7.909 1000
707.60 7.901 965
704.02 7.861 91
702.73 7.847 157
700.60 7.823 787
700.00 7.816 858
698.80 7.803 655
693.25 7.741 266
691.63 7.723 282
689.75 7.702 186
689.06 7.694 256
688.21 7.685 284
687.27 7.674 291
686.58 7.667 286
684.88 7.648 585
682.31 7.619 782
680.60 7.600 686
678.64 7.578 478
676.84 7.558 136
675.65 7.545 59
673.51 7.521 499
672.06 7.505 471
670.43 7.486 93
668.55 7.465 106
666.85 7.446 234
665.39 7.430 272
659.24 7.361 118
658.04 7.348 117