Kinetin(525-79-1) IR2
Molecular FormulaC10H9N5O
Molecular Weight215.21
InChIInChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKey QANMHLXAZMSUEX-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2NCC2=CC=CO2)NC=1
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MassMS-NW-2018 6-(furfurylamino)purine C10H9N5O (Mass of molecular ion: 215)
Source Temperature: 220 °C Sample Temperature: 220 °C Direct, 75 eV
18.0 3.3 26.0 1.9 27.0 17.0 28.0 21.6 29.0 1.9 30.0 2.1 38.0 3.0 39.0 6.6 40.0 2.8 41.0 3.5 42.0 1.3 43.0 1.8 50.0 2.3 51.0 5.7 52.0 6.4 53.0 28.7 54.0 5.1 55.0 1.1 65.0 4.0 66.0 7.7 67.0 4.6 68.0 6.0 69.0 2.3 70.0 1.0 78.0 1.8 79.0 1.7 80.0 3.6 81.0 63.0 82.0 3.7 92.0 4.4 93.0 12.2 94.0 3.6 95.0 1.1 96.0 15.6 98.5 1.5 105.0 1.5 106.0 1.1 107.0 1.1 108.0 10.7 119.0 11.4 120.0 10.3 121.0 3.8 132.0 1.4 133.0 1.0 134.0 1.8 135.0 15.9 136.0 2.6 146.0 1.4 148.0 1.7 158.0 1.3 159.0 5.8 160.0 17.9 161.0 2.8 171.0 2.4 172.0 1.7 184.0 1.6 185.0 1.9 186.0 58.0 187.0 11.5 188.0 1.3 196.0 1.9 197.0 1.3 198.0 3.5 213.0 1.6 214.0 12.6 215.0 100.0 216.0 12.8
90 MHz in CDCl3
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C10 H9 N5 O 0.036 g : 0.5 ml DMSO-d6 6-(furfurylamino)purine 
Assign. Shift(ppm)
A 8.248 B 8.143 C 8.0 D 7.552 E 6.37 F 6.27 G 4.791
Hz ppm Int.738.75 8.249 879 729.31 8.144 1000 716.13 7.997 174 677.50 7.565 443 676.63 7.556 534 675.69 7.545 512 674.81 7.535 442 573.44 6.403 237 571.56 6.382 277 570.25 6.368 439 568.44 6.348 415 565.56 6.315 74 563.13 6.288 427 562.31 6.279 477 559.94 6.253 247 559.19 6.244 257 432.13 4.826 347 426.25 4.760 347
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1H NMR 399.65 MHz C10 H9 N5 O saturated in DMSO-d6 6-(furfurylamino)purine Assign. Shift(ppm)
A 13.0 B 8.23 C 8.10 D 7.55 E 6.37 F 6.370 G 6.25 J 4.73
Hz ppm Int.5189.29 12.985 360 3290.04 8.233 576 3251.57 8.137 1000 3018.03 7.552 958 2545.65 6.370 882 2496.56 6.247 696 2496.19 6.246 695 1890.09 4.730 386
KBr disc
nujol mull
