氧雜蒽(92-83-1)質(zhì)譜(MS)
InChI:InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKey: GJCOSYZMQJWQCA-UHFFFAOYSA-N
Smiles:C1C2=C(C=CC=C2)OC2=C1C=CC=C2
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Mass
MS-NW-0107
xanthene
C13H10O (Mass of molecular ion: 182)
Source Temperature: 120 °C
Sample Temperature: 0 °C
Direct, 75 eV
39.0 1.0
51.0 1.7
63.0 2.2
64.0 1.1
75.0 1.1
76.0 6.2
76.5 1.0
77.0 1.4
90.5 3.6
91.0 4.8
126.0 1.2
127.0 1.6
150.0 1.1
151.0 3.0
152.0 10.9
153.0 2.4
180.0 1.1
181.0 100.0
182.0 55.2
183.0 7.4
184.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C13 H10 O
|
0.020 g : 0.5 ml CDCl3
|
| xanthene
|
 |
Assign. Shift(ppm)
A 7.32 to 6.89
B 4.031
|
Hz ppm Int.
646.19 7.216 76
643.88 7.190 246
643.06 7.181 176
642.50 7.174 116
641.56 7.164 128
640.69 7.154 102
639.81 7.144 102
637.81 7.122 733
637.13 7.115 772
633.19 7.071 1000
632.38 7.061 736
630.50 7.040 130
628.00 7.013 209
625.94 6.990 318
623.69 6.964 82
621.56 6.941 80
619.81 6.921 70
617.88 6.900 79
361.06 4.032 487
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| 1H NMR |
399.65 MHz |
| C13 H10 O
|
20.4 mg : 0.5 ml CDCl3
|
| xanthene
|
|
Assign. Shift(ppm)
A 7.18
B 7.16
C 7.04
D 7.02
E 4.038
|
Hz ppm Int.
2889.04 7.229 433
2881.47 7.210 123
2880.74 7.209 241
2879.76 7.206 205
2879.03 7.204 304
2878.30 7.203 159
2875.98 7.197 37
2874.27 7.192 161
2873.54 7.191 335
2872.56 7.188 502
2871.83 7.186 587
2870.85 7.184 487
2870.12 7.182 248
2865.48 7.170 484
2864.50 7.168 703
2863.77 7.166 802
2863.04 7.164 614
2862.30 7.163 418
2861.82 7.161 280
2857.91 7.152 267
2856.93 7.149 545
2856.45 7.148 646
2855.22 7.145 519
2854.74 7.144 416
2854.25 7.142 285
2853.76 7.141 217
2849.12 7.130 34
2819.09 7.054 549
2818.73 7.053 612
2817.87 7.051 815
2813.84 7.041 61
2811.16 7.035 923
2810.55 7.033 717
2809.94 7.032 892
2804.08 7.017 716
2802.73 7.013 591
2796.51 6.998 384
2795.17 6.995 346
1613.89 4.039 1000