2,3-二苯基-5-乙基氯化四氮唑(66138-05-4)核磁图(13CNMR)
分子式:C15H15ClN4
分子量: 286.76
InChI:InChI=1S/C15H15N4.ClH/c1-2-15-16-18(13-9-5-3-6-10-13)19(17-15)14-11-7-4-8-12-14;/h3-12H,2H2,1H3;1H/q+1;/p-1
InChIKey: WDLRRKFNUOOGIW-UHFFFAOYSA-M
Smiles:N1(N=C(CC)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]
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Mass
MS-NW-8213
5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
C15H15ClN4 (Mass of molecular ion: 286)
Source Temperature: 220 °C
Sample Temperature: 260 °C
Direct, 75 eV
14.0 1.0
15.0 1.9
18.0 2.8
26.0 3.2
27.0 8.9
28.0 27.1
29.0 3.1
35.0 6.2
36.0 41.9
37.0 3.7
38.0 17.2
39.0 18.0
40.0 3.4
41.0 6.8
50.0 7.0
51.0 18.6
52.0 9.6
53.0 1.5
54.0 3.3
56.0 1.3
62.0 2.5
63.0 13.0
64.0 27.2
65.0 17.6
66.0 3.9
74.0 1.9
75.0 2.0
76.0 3.2
77.0 22.6
78.0 18.2
79.0 1.4
89.0 2.2
90.0 3.3
91.0 100.0
92.0 24.2
93.0 8.3
102.0 1.7
103.0 2.3
104.0 4.1
105.0 1.3
115.0 5.7
116.0 2.6
117.0 7.3
118.0 7.0
119.0 2.3
131.0 23.9
132.0 3.2
139.0 1.4
140.0 1.2
144.0 1.2
145.0 9.4
146.0 30.2
147.0 5.1
152.0 2.0
153.0 1.8
154.0 2.7
165.0 1.0
166.0 2.1
167.0 7.0
168.0 2.7
169.0 3.3
180.0 1.3
207.0 1.9
222.0 3.3
243.0 1.2
245.0 1.7
298.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C15 H15 Cl N4
|
0.040 g : 0.5 ml CDCl3
|
| 5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
|
 |
Assign. Shift(ppm)
A 8.191
B 7.550
C 7.417
D 3.160
E 1.479
|
Hz ppm Int.
3280.76 8.210 59
3278.56 8.204 436
3277.59 8.202 479
3271.97 8.188 130
3270.14 8.183 523
3268.80 8.180 411
3027.22 7.575 75
3026.12 7.572 135
3025.02 7.570 86
3020.26 7.558 100
3018.55 7.553 310
3016.97 7.550 117
3012.21 7.538 132
3010.99 7.535 217
3009.89 7.532 123
2973.63 7.441 73
2971.80 7.437 398
2970.09 7.432 158
2963.38 7.415 529
2962.28 7.413 254
2957.64 7.401 122
2955.81 7.396 289
2953.98 7.392 59
1274.78 3.190 117
1267.21 3.171 378
1259.52 3.152 386
1251.95 3.133 130
598.63 1.498 454
591.06 1.479 1000
583.50 1.461 439
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| 1H NMR |
89.56 MHz |
| C15 H15 Cl N4
|
0.038 g : 0.5 ml CDCl3
|
| 5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
|
|
Assign. Shift(ppm)
A 8.13
B 7.53
C 7.48
D 3.22
E 1.53
|
Hz ppm Int.
734.00 8.196 336
732.50 8.179 409
730.19 8.154 166
728.31 8.133 134
726.13 8.108 379
724.19 8.087 485
722.81 8.071 152
680.44 7.598 127
679.19 7.584 178
676.63 7.556 106
675.19 7.539 239
673.31 7.518 730
671.25 7.495 404
669.63 7.477 109
669.00 7.470 179
668.00 7.459 121
667.00 7.448 180
665.44 7.431 402
663.75 7.412 122
662.13 7.394 80
661.75 7.389 77
661.25 7.384 95
659.50 7.364 135
658.13 7.349 83
656.38 7.329 99
654.81 7.312 68
654.38 7.307 74
299.69 3.347 88
292.13 3.262 317
284.50 3.177 348
276.88 3.092 109
144.19 1.610 379
136.81 1.528 1000
129.06 1.442 306