3,3',4',5-TETRACHLOROSALICYLANILIDE(1154-59-2) IR1
Product Name3,3',4',5-TETRACHLOROSALICYLANILIDE
CAS1154-59-2
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.01
InChIInChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
InChIKey SJQBHPJLLIJASD-UHFFFAOYSA-N
SmilesC(NC1=CC=C(Cl)C(Cl)=C1)(=O)C1=CC(Cl)=CC(Cl)=C1O
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MassMS-IW-3913 3,3',4',5-tetrachlorosalicylanilide C13H7Cl4NO2 (Mass of molecular ion: 349)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 4.5 38.0 1.5 53.0 1.3 61.0 1.5 62.0 3.9 63.0 5.8 73.0 4.2 74.0 1.5 75.0 1.9 90.0 2.5 91.0 1.3 97.0 8.6 98.0 1.9 99.0 5.6 101.0 1.0 109.0 2.1 124.0 2.1 125.0 4.3 126.0 4.9 127.0 2.3 128.0 1.4 132.0 1.5 133.0 14.9 134.0 2.3 135.0 9.7 136.0 1.0 137.0 1.5 145.0 1.0 153.0 1.2 154.0 1.2 155.0 2.5 160.0 2.6 161.0 100.0 162.0 10.3 163.0 63.6 164.0 5.9 165.0 10.3 187.0 2.6 188.0 4.1 189.0 49.9 190.0 6.3 191.0 31.1 192.0 2.8 193.0 5.1 315.0 1.3 349.0 18.3 350.0 2.8 351.0 23.0 352.0 3.4 353.0 11.1 354.0 1.6 355.0 2.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H7 Cl4 N O2 0.036 g : 0.5 ml DMSO-d6 3,3',4',5-tetrachlorosalicylanilide 
Assign. Shift(ppm)
A *1 12.2 B *1 10.74 C 8.04 D 8.03 E 7.780 F 7.670 G 7.634
Hz ppm Int.4290.31 10.736 330 3216.22 8.048 43 3214.21 8.043 500 3212.01 8.038 1000 3209.44 8.031 602 3110.53 7.784 784 3107.97 7.777 744 3105.40 7.771 36 3073.17 7.690 167 3070.79 7.684 142 3066.57 7.674 32 3064.38 7.668 405 3061.99 7.662 415 3057.96 7.652 27 3053.57 7.641 720 3049.36 7.631 26 3048.99 7.630 25 3044.78 7.619 279
in DMSO-d6
KBr disc
nujol mull
