2-甲基-硒氮茚(2818-88-4)核磁图(1HNMR)
InChI:InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey: VYFYELQQECQPHU-UHFFFAOYSA-N
Smiles:[Se]1C2=CC=CC=C2N=C1C
parameter in DMSO-d6
parameter in acetone
-
| 1H NMR |
300 MHz |
| C8 H7 N Se
|
5 mol% in DMSO-d6
|
| 2-methylbenzoselenazole
|
 |
Parameter ppm Hz
D(A) 7.96
D(B) 7.46
D(C) 7.31
D(D) 8.05
J(A,B) 8.27
J(A,C) 1.26
J(A,D) 0.48
J(B,C) 7.28
J(B,D) 1.23
J(C,D) 7.99
D(E) 2.81
KATRITZKY,A.R. & TAKEUCHI,Y. ORG.MAGN.RESON. 2, 569 (1970)
|
Hz ppm Int.
2419.54 8.065 79
2418.62 8.062 80
2411.62 8.039 87
2410.65 8.035 85
2392.72 7.976 77
2391.75 7.972 80
2384.51 7.948 85
2383.54 7.945 86
2246.58 7.489 43
2245.32 7.484 44
2239.25 7.464 68
2238.18 7.461 90
2231.09 7.437 54
2229.82 7.433 52
2200.91 7.336 58
2199.65 7.332 58
2192.95 7.310 80
2191.78 7.306 70
2185.66 7.286 40
2184.44 7.281 39
842.99 2.810 1000
-
| 1H NMR |
300 MHz |
| C8 H7 N Se
|
in acetone
|
| 2-methylbenzoselenazole
|
|
Parameter ppm Hz
D(A) 7.917
D(B) 7.453
D(C) 7.295
D(D) 8.017
J(A,B) 8.12
J(A,C) 1.32
J(A,D) 0.53
J(B,C) 7.28
J(B,D) 1.26
J(C,D) 7.98
D(E) 2.820
TOBIASON,F.L. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 23A,
1385 (1967)
|
Hz ppm Int.
2409.58 8.032 65
2408.76 8.029 65
2401.66 8.006 72
2400.84 8.003 70
2379.70 7.932 62
2378.78 7.929 65
2371.64 7.905 70
2370.76 7.903 71
2244.40 7.481 41
2243.13 7.477 42
2237.11 7.457 63
2235.85 7.453 71
2235.12 7.450 48
2229.04 7.430 51
2227.78 7.426 49
2196.44 7.321 54
2195.13 7.317 54
2189.11 7.297 53
2188.48 7.295 67
2187.85 7.293 60
2187.17 7.291 60
2181.24 7.271 38
2179.93 7.266 37
846.00 2.820 1000