9-氯甲基蒽(24463-19-2)紅外圖譜(IR1)
InChI:InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey: PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Smiles:C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
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Mass
MS-NW-7186
9-(chloromethyl)anthracene
C15H11Cl (Mass of molecular ion: 226)
Source Temperature: 140 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 2.4
63.0 2.2
69.5 1.7
74.0 1.2
75.0 1.1
81.0 1.3
81.5 3.9
82.0 1.9
82.5 8.3
83.0 1.3
87.0 1.1
93.5 3.7
94.0 5.2
94.5 14.9
95.0 9.8
95.5 9.4
96.0 2.0
113.0 4.4
113.5 1.0
114.0 1.5
139.0 1.3
152.0 1.2
163.0 3.7
164.0 1.6
165.0 4.9
176.0 1.1
187.0 4.3
188.0 3.5
189.0 25.2
190.0 9.2
191.0 100.0
192.0 19.4
193.0 2.0
225.0 2.1
226.0 26.0
227.0 5.3
228.0 9.1
229.0 1.6
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C15 H11 Cl
|
0.037 g : 0.5 ml CDCl3
|
| 9-(chloromethyl)anthracene
|
 |
Assign. Shift(ppm)
A 8.392
B 8.253
C 7.952
D *1 7.56
E *1 7.44
F 5.528
|
Hz ppm Int.
751.63 8.393 242
745.06 8.320 119
744.25 8.311 168
742.81 8.294 193
741.94 8.285 162
740.25 8.266 54
739.69 8.260 54
737.56 8.236 119
735.75 8.216 171
734.38 8.200 238
733.44 8.190 153
730.88 8.161 48
729.63 8.147 38
720.94 8.050 31
717.69 8.014 169
716.69 8.003 152
716.06 7.996 135
714.94 7.983 114
714.25 7.976 106
710.25 7.931 262
708.50 7.911 199
707.88 7.904 251
704.50 7.867 37
703.31 7.853 50
685.44 7.654 106
683.69 7.634 152
682.25 7.618 57
682.13 7.617 57
678.94 7.581 337
677.13 7.561 264
675.13 7.539 136
673.31 7.518 316
671.25 7.495 551
668.56 7.465 274
666.81 7.446 142
665.25 7.428 214
663.88 7.413 227
660.88 7.380 41
658.69 7.355 97
657.31 7.340 79
495.13 5.529 1000
489.38 5.465 31
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| 1H NMR |
399.65 MHz |
| C15 H11 Cl
|
0.032 g : 0.5 ml CDCl3
|
| 9-(chloromethyl)anthracene
|
|
Assign. Shift(ppm)
A 8.405
B 8.257
C 7.964
D 7.561
E 7.455
F 5.535
ASSIGNED BY C-H COSY.
|
Hz ppm Int.
3359.01 8.405 260
3305.05 8.270 257
3304.20 8.268 273
3296.14 8.248 278
3295.29 8.246 289
3187.99 7.977 231
3187.26 7.976 272
3186.65 7.974 255
3179.44 7.956 254
3178.83 7.955 298
3178.22 7.953 274
3177.49 7.951 185
3030.64 7.584 168
3029.30 7.580 180
3024.17 7.568 229
3022.83 7.564 238
3021.85 7.562 194
3020.39 7.558 177
3015.26 7.545 218
3013.92 7.542 215
2986.69 7.474 202
2985.72 7.471 217
2980.10 7.457 163
2979.00 7.455 188
2978.27 7.453 216
2977.29 7.450 207
2971.68 7.436 143
2970.70 7.434 146
2212.28 5.536 1000