AZOBENZENE-2-SULFENYL BROMIDE*(2849-62-9) IR1
Product NameAZOBENZENE-2-SULFENYL BROMIDE*
CAS2849-62-9
Molecular FormulaC12H9BrN2S
Molecular Weight293.18
InChIInChI=1S/C12H9BrN2S/c13-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10/h1-9H
InChIKey OGLDNEGRIQZFIY-UHFFFAOYSA-N
SmilesC1(SBr)=CC=CC=C1N=NC1=CC=CC=C1
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MassMS-NW-6976 azobenzene-2-sulfenyl bromide C12H9BrN2S (Mass of molecular ion: 292)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 1.5 27.0 1.0 38.0 1.6 39.0 3.4 45.0 2.8 50.0 2.9 51.0 12.7 52.0 1.2 58.0 1.9 63.0 3.3 64.0 2.1 65.0 2.5 69.0 8.1 76.0 1.1 77.0 29.0 78.0 3.2 79.0 1.3 80.0 3.8 81.0 1.5 82.0 4.6 91.0 1.0 93.0 1.8 106.5 3.4 107.0 1.0 108.0 6.9 109.0 4.3 115.0 1.9 137.0 2.9 139.0 4.0 141.0 1.5 152.0 6.1 183.0 2.7 184.0 43.1 185.0 7.8 186.0 2.8 213.0 100.0 214.0 17.7 215.0 5.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H9 Br N2 S 0.034 g : 0.5 ml CDCl3 azobenzene-2-sulfenyl bromide 
Assign. Shift(ppm)
A 9.564 B 8.598 C 8.168 D *1 8.020 E *1 7.968 F 7.734 G 7.700
Hz ppm Int.3826.75 9.576 496 3826.14 9.574 499 3818.21 9.554 542 3440.25 8.609 487 3432.62 8.590 529 3431.40 8.587 483 3272.25 8.188 82 3269.04 8.180 807 3268.13 8.178 815 3266.30 8.173 413 3263.09 8.165 281 3260.96 8.160 1000 3259.43 8.156 660 3214.72 8.044 211 3213.50 8.041 218 3207.70 8.027 408 3206.48 8.024 477 3204.96 8.020 211 3199.31 8.006 404 3197.94 8.002 343 3191.53 7.986 390 3190.31 7.983 389 3184.51 7.969 272 3183.14 7.965 508 3182.22 7.963 366 3176.12 7.948 228 3175.05 7.945 193 3101.65 7.761 113 3100.28 7.758 79 3097.99 7.752 72 3094.33 7.743 387 3091.58 7.736 164 3088.68 7.729 390 3087.31 7.726 632 3085.94 7.722 381 3083.65 7.716 963 3081.97 7.712 370 3078.31 7.703 361 3075.71 7.697 950 3072.81 7.689 124 3070.83 7.684 163 3069.00 7.680 292 3067.02 7.675 180
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1H NMR 89.56 MHz C12 H9 Br N2 S 0.026 g : 0.5 ml CDCl3 azobenzene-2-sulfenyl bromide Assign. Shift(ppm)
A 9.581 B 8.567 C 8.16 D *1 8.00 E *1 7.96 F 7.80 to 7.60
Hz ppm Int.863.81 9.646 162 863.25 9.639 170 861.44 9.619 151 860.44 9.608 124 857.56 9.576 140 855.13 9.549 186 854.00 9.536 206 853.44 9.530 193 850.56 9.498 48 773.25 8.634 158 772.69 8.628 167 771.38 8.613 159 768.94 8.586 140 766.50 8.559 150 765.56 8.549 182 763.56 8.526 241 763.00 8.520 227 759.44 8.480 59 740.56 8.269 40 736.63 8.225 302 734.38 8.200 294 731.50 8.168 305 730.19 8.154 288 729.13 8.142 243 726.75 8.115 475 723.63 8.080 115 721.00 8.051 325 719.06 8.029 302 718.13 8.019 378 714.63 7.980 617 711.00 7.939 340 710.38 7.932 285 708.56 7.912 264 705.81 7.881 62 705.19 7.874 60 704.75 7.870 58 703.31 7.853 107 701.56 7.834 74 700.50 7.822 64 696.88 7.782 150 694.81 7.759 175 692.81 7.736 1000 690.63 7.712 647 687.81 7.680 357 687.19 7.673 362 686.63 7.667 333 685.81 7.658 431 683.69 7.634 149 682.00 7.616 141 678.81 7.580 55 678.19 7.573 64 676.94 7.559 52 676.31 7.552 55
in CDCl3
KBr disc
nujol mull
