10-Butyl-2-chloroacridone(128420-54-2) IR2
Product Name10-Butyl-2-chloroacridone
CAS128420-54-2
Molecular FormulaC17H16ClNO
Molecular Weight285.77
InChIInChI=1S/C17H16ClNO/c1-2-3-10-19-15-7-5-4-6-13(15)17(20)14-11-12(18)8-9-16(14)19/h4-9,11H,2-3,10H2,1H3
InChIKey VYMSWGOFSKMMCE-UHFFFAOYSA-N
SmilesC1=C2C(N(CCCC)C3=C(C2=O)C=CC=C3)=CC=C1Cl
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MassMS-IW-2643 10-butyl-2-chloro-9-acridone C17H16ClNO (Mass of molecular ion: 285)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 2.0 29.0 9.0 39.0 2.1 41.0 5.0 50.0 1.3 51.0 1.5 55.0 1.2 57.0 2.1 63.0 1.6 75.0 2.6 76.0 1.9 77.0 3.4 89.0 1.2 111.0 1.3 121.5 1.0 138.0 1.4 139.0 1.8 140.0 1.6 150.0 1.0 151.0 3.1 152.0 5.0 153.0 1.0 164.0 3.7 165.0 2.3 166.0 4.2 174.0 1.0 177.0 1.5 178.0 3.4 179.0 5.0 194.0 3.0 200.0 3.4 201.0 1.2 202.0 1.3 207.0 1.3 214.0 7.7 215.0 1.5 216.0 2.6 228.0 1.7 229.0 7.8 230.0 1.8 231.0 2.5 242.0 100.0 243.0 15.9 244.0 33.3 245.0 5.2 285.0 49.7 286.0 9.8 287.0 16.7 288.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H16 Cl N O 0.054 g : 0.5 ml CDCl3 10-butyl-2-chloro-9-acridone 
Assign. Shift(ppm)
A 8.415 B 8.354 C 7.651 D 7.493 E 7.378 F 7.300 G 7.200 J 4.183 K 1.802 L 1.544 M 1.053 J(A,C)=1.7HZ J(A,G)=8.1HZ J(B,D)=2.7HZ J(C,E)=8.8HZ J(C,G)=7.0HZ J(D,F)=9.2HZ J(E,G)=0.9HZ
Hz ppm Int.3367.92 8.428 178 3366.21 8.423 179 3359.86 8.408 187 3358.15 8.403 181 3340.21 8.358 413 3337.52 8.352 414 3067.02 7.675 92 3065.19 7.670 94 3060.06 7.657 111 3058.23 7.653 201 3056.52 7.648 121 3051.27 7.635 124 3049.56 7.631 120 3001.22 7.510 205 2998.54 7.503 204 2992.07 7.487 253 2989.38 7.480 256 2953.00 7.389 207 2944.21 7.367 179 2921.88 7.312 283 2912.60 7.288 235 2885.38 7.220 129 2884.52 7.218 134 2878.42 7.203 141 2877.44 7.200 217 2876.59 7.198 153 2870.36 7.183 122 2869.63 7.181 124 1680.30 4.205 158 1677.12 4.197 48 1672.00 4.184 155 1663.70 4.163 168 737.30 1.845 41 729.98 1.827 83 727.66 1.821 73 721.44 1.806 132 718.14 1.797 71 715.94 1.792 70 713.62 1.786 107 711.43 1.781 69 705.44 1.766 54 635.99 1.592 31 628.54 1.573 114 620.97 1.554 182 613.40 1.535 184 605.96 1.517 113 598.63 1.498 32 428.34 1.072 464 421.02 1.054 1000 413.57 1.035 441
in CDCl3
KBr disc
nujol mull
