ACRIDINE HYDROCHLORIDE(17784-47-3) IR2
Product NameACRIDINE HYDROCHLORIDE
CAS17784-47-3
Molecular FormulaC13H10ClN
Molecular Weight215.68
InChIInChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H
InChIKey XUESTGHCVFYOLL-UHFFFAOYSA-N
SmilesC12C=CC=CC1=NC1=CC=CC=C1C=2.Cl
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MassMS-NW-0252 acridine hydrochloride C13H9N HCl (Mass of molecular ion: 179)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
17.0 1.7 18.0 8.4 36.0 4.2 38.0 1.3 39.0 1.2 50.0 1.9 51.0 1.8 62.0 1.1 63.0 3.0 74.0 1.7 75.0 3.9 75.5 1.8 76.0 4.5 77.0 1.0 87.0 1.0 88.5 1.0 89.0 8.6 89.5 8.2 90.0 1.1 101.0 1.1 125.0 1.3 126.0 2.0 127.0 1.7 150.0 3.1 151.0 7.0 152.0 6.9 153.0 4.2 176.0 1.0 177.0 5.8 178.0 15.8 179.0 100.0 180.0 14.0 181.0 1.2
90 MHz in D2O
400 MHz in D2O (at 60.9C)
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1H NMR 89.56 MHz C13 H9 N 0.043 g : 0.5 ml D2O acridine hydrochloride 
Assign. Shift(ppm)
A 8.607 B 7.74 C 7.56 D 7.47 E 7.39 400MHZ : HSP-42-318 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.770.63 8.605 660 703.00 7.850 214 701.31 7.831 249 696.38 7.776 367 694.88 7.759 501 692.31 7.731 420 688.00 7.683 477 686.19 7.662 600 683.31 7.630 336 675.94 7.548 1000 668.81 7.468 535 667.81 7.457 754 663.63 7.410 813 662.50 7.398 854 661.25 7.384 513 660.25 7.373 380 658.88 7.357 183 655.31 7.317 533 654.38 7.307 499
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1H NMR 399.65 MHz C13 H9 N 0.036 g : 0.5 ml D2O at 60C acridine hydrochloride Assign. Shift(ppm)
A 8.850 B 7.897 C 7.794 D 7.632 E 7.546 THE SOLVENT PEAK REMOVED.
Hz ppm Int.3536.99 8.851 813 3168.58 7.929 43 3167.60 7.926 50 3164.92 7.920 417 3163.57 7.916 492 3158.20 7.903 499 3156.25 7.898 724 3154.79 7.894 614 3149.41 7.881 532 3148.07 7.878 609 3128.17 7.828 33 3127.69 7.827 35 3127.32 7.826 37 3119.87 7.807 731 3119.14 7.805 720 3115.72 7.797 89 3114.75 7.794 95 3111.33 7.786 859 3110.72 7.784 827 3064.94 7.670 30 3064.58 7.669 30 3063.48 7.666 32 3062.87 7.664 33 3062.38 7.663 35 3061.77 7.662 39 3061.40 7.661 41 3060.67 7.659 48 3054.57 7.644 863 3053.83 7.642 1000 3050.05 7.632 80 3049.32 7.630 78 3045.90 7.622 738 3045.04 7.620 840 3041.14 7.610 37 3040.77 7.609 33 3040.28 7.608 30 3031.86 7.587 30 3031.49 7.586 32 3031.25 7.585 32 3030.76 7.584 33 3029.91 7.582 35 3029.54 7.581 37 3028.56 7.579 46 3026.73 7.574 61 3023.32 7.565 558 3022.46 7.563 609 3019.17 7.555 89 3016.60 7.549 551 3015.14 7.545 694 3014.04 7.542 579 3010.74 7.534 58 3009.89 7.532 61 3008.06 7.527 421 3007.20 7.525 456
KBr disc
nujol mull
