Imidazo[1,2-a]pyrimidine(274-95-3) 1H NMR
Product NameImidazo[1,2-a]pyrimidine
CAS274-95-3
Molecular FormulaC6H5N3
Molecular Weight119.12
InChIInChI=1S/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H
InChIKey INSWZAQOISIYDT-UHFFFAOYSA-N
SmilesC12=NC=CN1C=CC=N2
parameter in CDCl3
parameter in H2O+HCl(0.5N)
parameter in CF3COOH
parameter in H2O+HCl(5N)
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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
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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
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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
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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
