2,6-Dichloroquinone-4-chloroimide(101-38-2) IR2
Product Name2,6-Dichloroquinone-4-chloroimide
CAS101-38-2
Molecular FormulaC6H2Cl3NO
Molecular Weight210.45
InChIInChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
InChIKey YHUMTHWQGWPJOQ-UHFFFAOYSA-N
SmilesC1(=O)C(Cl)=C/C(=N\Cl)/C=C1Cl
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MassMS-NW-1678 N,2,6-trichloro-p-benzoquinone monoimine C6H2Cl3NO (Mass of molecular ion: 209)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.7 24.0 1.5 25.0 6.5 26.0 1.9 28.0 3.2 35.0 3.1 36.0 5.7 37.0 7.2 38.0 2.9 47.0 4.3 48.0 3.7 49.0 6.4 50.0 9.3 51.0 26.0 52.0 13.8 53.0 36.6 54.0 1.9 55.5 2.3 59.0 1.5 60.0 33.5 60.5 1.6 61.0 6.0 61.5 1.0 62.0 14.6 63.0 3.5 64.0 1.3 65.0 1.1 71.0 1.0 72.0 4.0 72.5 1.4 73.0 2.3 73.5 1.1 74.0 2.9 75.0 8.4 76.0 13.4 77.0 1.2 78.0 1.5 80.0 1.1 83.0 1.7 84.0 3.5 85.0 11.1 86.0 55.4 87.0 9.8 88.0 20.8 89.0 2.3 90.0 1.5 95.0 2.2 96.0 1.2 97.0 2.2 107.0 1.5 109.0 1.4 110.0 34.0 111.0 9.0 112.0 17.0 113.0 6.1 114.0 31.1 115.0 2.5 116.0 9.5 119.0 6.2 120.0 5.2 121.0 16.3 122.0 4.1 123.0 55.5 124.0 2.9 125.0 31.1 126.0 1.4 127.0 4.8 139.0 1.3 140.0 9.5 141.0 1.4 142.0 3.1 146.0 43.5 147.0 4.9 148.0 34.9 149.0 3.6 150.0 9.7 174.0 24.2 175.0 18.9 176.0 17.6 177.0 12.1 178.0 3.8 179.0 1.9 181.0 12.0 183.0 11.9 185.0 3.7 209.0 100.0 210.0 7.3 211.0 94.6 212.0 7.2 213.0 31.2 214.0 2.3 215.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H2 Cl3 N O saturated in CDCl3 N,2,6-trichloro-p-benzoquinone monoimine 
Assign. Shift(ppm)
A 7.987 B 7.506
Hz ppm Int.716.75 8.004 847 715.81 7.993 47 714.19 7.975 1000 673.50 7.521 924 670.88 7.491 831
in CDCl3
KBr disc
nujol mull
