咪唑并[1,2-a]嘧啶(274-95-3)核磁图(1HNMR)
InChI:InChI=1S/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H
InChIKey: INSWZAQOISIYDT-UHFFFAOYSA-N
Smiles:C12=NC=CN1C=CC=N2
parameter in CDCl3
parameter in H2O+HCl(0.5N)
parameter in CF3COOH
parameter in H2O+HCl(5N)
-
1H NMR |
300 MHz |
C6 H5 N3
|
0.5 M in CDCl3
|
imidazo(1,2-a)pyrimidine
|
|
Parameter ppm Hz
D(A) 7.784
D(B) 7.709
J(A,B) 1.43
D(C) 8.743
D(D) 6.917
D(E) 8.521
J(C,D) 6.75
J(C,E) 2.07
J(D,E) 4.10
MARCHETTI,L. ET AL. ORG.MAGN.RESON. 7, 455 (1975)
|
Hz ppm Int.
2627.34 8.758 442
2625.30 8.751 470
2620.59 8.735 454
2618.55 8.728 480
2559.39 8.531 473
2557.31 8.524 460
2555.30 8.518 494
2553.22 8.511 453
2335.93 7.786 895
2334.53 7.782 1000
2313.39 7.711 999
2311.97 7.707 893
2080.49 6.935 459
2076.39 6.921 460
2073.76 6.913 456
2069.66 6.899 441
-
1H NMR |
300 MHz |
C6 H5 N3
|
0.25 M in (0.5N)HCl-aq.sol.
|
imidazo(1,2-a)pyrimidine
|
|
Parameter ppm Hz
D(A) 8.138
D(B) 8.199
J(A,B) 2.50
D(C) 9.251
D(D) 7.727
D(E) 9.105
J(C,D) 6.88
J(C,E) 1.83
J(D,E) 4.57
MARCHETTI,L. ET AL. ORG.MAGN.RESON. 7, 455 (1975)
H2O CONTAINED A SMALL AMOUNT OF T-BUTYL ALCOHOL
AS INTERNAL STANDARD.
|
Hz ppm Int.
2779.71 9.266 429
2777.88 9.260 463
2772.82 9.243 442
2771.01 9.237 478
2734.69 9.116 466
2732.89 9.110 440
2730.12 9.100 484
2728.31 9.094 441
2461.04 8.203 771
2458.55 8.195 1000
2442.56 8.142 1000
2440.08 8.134 771
2323.79 7.746 449
2319.21 7.731 450
2316.92 7.723 446
2312.36 7.708 426
-
1H NMR |
300 MHz |
C6 H5 N3
|
0.5 M in CF3COOH
|
imidazo(1,2-a)pyrimidine
|
|
Parameter ppm Hz
D(A) 8.220
D(B) 8.256
J(A,B) 2.63
D(C) 9.286
D(D) 7.813
D(E) 9.222
J(C,D) 6.91
J(C,E) 1.40
J(D,E) 4.30
MARCHETTI,L. ET AL. ORG.MAGN.RESON. 7, 455 (1975)
|
Hz ppm Int.
2790.00 9.300 397
2788.61 9.295 447
2783.10 9.277 406
2781.72 9.272 465
2769.43 9.231 451
2768.05 9.227 407
2765.14 9.217 469
2763.74 9.212 404
2478.27 8.261 629
2475.66 8.252 1000
2467.15 8.224 1000
2464.54 8.215 629
2349.46 7.832 413
2345.17 7.817 413
2342.58 7.809 408
2338.27 7.794 393
-
1H NMR |
300 MHz |
C6 H5 N3
|
0.25 M in (5N)HCl-aq.sol.
|
imidazo(1,2-a)pyrimidine
|
|
Parameter ppm Hz
D(A) 8.116
D(B) 8.176
J(A,B) 2.45
D(C) 9.220
D(D) 7.714
D(E) 9.091
J(C,D) 6.73
J(C,E) 1.79
J(D,E) 4.58
MARCETTI,L. ET AL. ORG.MAGN.RESON 7, 455 (1975)
H2O CONTAINED A SMALL AMOUNT OF T-BUTYL ALCOHOL
AS INTERNAL STANDARD.
|
Hz ppm Int.
2770.31 9.234 428
2768.52 9.228 466
2763.58 9.212 441
2761.80 9.206 480
2730.48 9.102 469
2728.70 9.096 439
2725.90 9.086 487
2724.12 9.080 440
2454.10 8.180 772
2451.67 8.172 1000
2435.95 8.120 1000
2433.50 8.112 772
2319.81 7.733 449
2315.23 7.717 451
2313.10 7.710 448
2308.52 7.695 426