9-Phenylacridine(602-56-2) IR1
Product Name9-Phenylacridine
CAS602-56-2
Molecular FormulaC19H13N
Molecular Weight255.31
InChIInChI=1S/C19H13N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
InChIKey MTRFEWTWIPAXLG-UHFFFAOYSA-N
SmilesC1C2C(=NC3C(C=2C2=CC=CC=C2)=CC=CC=3)C=CC=1
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MassMS-IW-7578 9-phenylacridine C19H13N (Mass of molecular ion: 255)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
100.0 2.9 100.5 1.0 101.0 1.2 112.0 2.8 112.5 2.0 113.0 4.9 113.5 2.2 114.0 3.8 125.5 1.5 126.0 10.6 126.5 7.3 127.0 13.7 127.5 9.8 128.0 1.9 200.0 1.3 201.0 1.2 202.0 1.2 224.0 1.3 225.0 2.2 226.0 5.2 227.0 3.4 228.0 1.4 240.0 1.1 251.0 4.3 252.0 7.0 253.0 12.6 254.0 64.3 255.0 100.0 256.0 19.5 257.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H13 N 0.040 g : 0.5 ml CDCl3 9-phenylacridine 
Assign. Shift(ppm)
A 8.280 B 7.747 C 7.691 D 7.57 E 7.42 F 7.395 J(A,B)=8.8HZ J(A,F)=1.1HZ J(A,C)=0.7HZ J(B,C)=1.4HZ J(B,F)=6.6HZ J(C,F)=8.8HZ ASSIGNED BY C-H COSY
Hz ppm Int.3314.58 8.294 427 3313.84 8.292 564 3313.48 8.291 568 3312.74 8.290 468 3309.20 8.281 37 3305.79 8.272 478 3305.05 8.270 634 3303.96 8.268 513 3104.86 7.769 331 3103.39 7.766 382 3100.83 7.759 48 3098.27 7.753 392 3096.80 7.749 454 3096.07 7.747 388 3094.60 7.744 383 3089.48 7.731 351 3088.13 7.728 398 3084.47 7.718 30 3079.71 7.707 420 3079.10 7.705 492 3078.37 7.703 481 3077.76 7.702 409 3070.92 7.685 496 3070.31 7.683 592 3069.58 7.681 545 3068.97 7.680 466 3063.48 7.666 44 3054.57 7.644 35 3039.18 7.605 86 3037.48 7.601 65 3035.77 7.597 133 3034.30 7.593 93 3033.08 7.590 93 3030.64 7.584 417 3030.15 7.583 416 3028.56 7.579 288 3026.61 7.574 213 3025.15 7.570 393 3023.19 7.565 1000 3021.48 7.561 377 3020.51 7.558 251 3017.82 7.552 201 3016.48 7.548 158 3011.47 7.536 61 3009.77 7.532 54 2969.60 7.431 544 2967.53 7.426 413 2967.04 7.425 395 2965.45 7.421 223 2963.50 7.416 613 2962.28 7.413 692 2960.21 7.408 478 2957.15 7.400 439 2955.93 7.397 443 2954.83 7.394 429 2953.61 7.391 411 2950.44 7.383 53 2948.36 7.378 344 2947.14 7.375 348
in CDCl3
KBr disc
nujol mull
