2,4-DINITROBENZENESULFONYL CHLORIDE(1656-44-6) Raman
Product Name2,4-DINITROBENZENESULFONYL CHLORIDE
CAS1656-44-6
Molecular FormulaC6H3ClN2O6S
Molecular Weight266.62
InChIInChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey SSFSNKZUKDBPIT-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-6488 2,4-dinitrobenzenesulfonyl chloride C6H3ClN2O6S (Mass of molecular ion: 266)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.5 18.0 7.3 28.0 3.8 30.0 45.0 36.0 3.0 37.0 2.1 38.0 5.1 39.0 2.4 45.0 1.9 46.0 4.6 48.0 7.7 49.0 1.1 50.0 4.1 51.0 3.8 53.0 2.9 61.0 1.8 62.0 5.8 63.0 15.1 64.0 20.7 66.0 1.0 69.0 1.6 73.0 3.0 74.0 21.0 75.0 35.2 76.0 4.9 77.0 3.0 79.0 8.9 84.0 1.8 86.0 1.1 91.0 2.8 92.0 1.2 93.0 6.4 98.0 1.5 107.0 1.8 109.0 7.2 110.0 9.0 111.0 3.4 112.0 3.2 126.0 2.5 140.0 1.2 156.0 1.2 168.0 2.3 202.0 10.7 204.0 4.1 214.0 1.9 231.0 100.0 232.0 8.3 233.0 6.2 266.0 2.7 268.0 1.2 288.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl N2 O6 S 0.046 g : 0.5 ml CDCl3 2,4-dinitrobenzenesulfonyl chloride 
Assign. Shift(ppm)
A 8.70 B 8.66 C 8.51 J(A,B)=2.0HZ. J(B,C)=9.1HZ.
Hz ppm Int.783.13 8.745 59 781.13 8.722 390 780.00 8.710 562 777.94 8.687 552 775.94 8.664 44 774.00 8.643 705 771.88 8.619 408 770.00 8.598 31 769.63 8.594 30 765.31 8.546 1000 762.88 8.519 37 762.13 8.510 69 759.25 8.478 66 756.06 8.442 308
in CDCl3
KBr disc
