Molecular FormulaC14H10N2O3S
Molecular Weight286.3058
InChIInChI=1S/C14H10N2O3S/c17-14(12-4-2-1-3-5-12)20-15-10-11-6-8-13(9-7-11)16(18)19/h1-10H/b15-10+
InChIKey ZZORWWALTATITR-XNTDXEJSSA-N
SmilesN(=C/C1=CC=C([N+]([O-])=O)C=C1)\SC(=O)C1=CC=CC=C1
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MassMS-NW-7304 S-benzoyl-N-(p-nitrobenzylidene)thiohydroxylamine C14H10N2O3S (Mass of molecular ion: 286)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.9 27.0 1.6 28.0 1.0 30.0 2.2 38.0 1.5 39.0 3.3 45.0 1.7 50.0 10.4 51.0 19.5 52.0 1.7 58.0 1.0 62.0 1.2 63.0 3.7 64.0 1.2 65.0 1.2 69.0 3.3 74.0 2.8 75.0 3.8 76.0 5.1 77.0 51.3 78.0 3.8 82.0 1.5 90.0 1.2 91.0 1.8 102.0 2.2 103.0 1.0 105.0 100.0 106.0 8.0 108.0 2.3 109.0 1.0 134.0 1.5 135.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H10 N2 O3 S 0.014 g : 0.5 ml CDCl3 S-benzoyl-N-(p-nitrobenzylidene)thiohydroxylamine 
Assign. Shift(ppm)
A 8.916 B 8.312 C 8.018 D 7.952 E 7.658 F 7.533
Hz ppm Int.3563.48 8.917 1000 3328.86 8.330 119 3326.66 8.324 777 3324.71 8.320 258 3322.27 8.313 52 3319.70 8.307 286 3317.75 8.302 937 3315.55 8.297 134 3210.94 8.035 145 3208.86 8.030 877 3206.79 8.024 277 3204.96 8.020 56 3204.10 8.018 61 3203.37 8.016 67 3201.90 8.012 264 3199.95 8.007 766 3197.63 8.002 117 3195.07 7.995 32 3194.58 7.994 30 3185.91 7.972 41 3184.33 7.968 102 3182.50 7.964 522 3182.01 7.962 409 3181.27 7.961 630 3177.98 7.952 61 3176.15 7.948 199 3174.19 7.943 710 3172.85 7.940 628 3070.56 7.684 89 3069.34 7.681 171 3068.12 7.678 102 3063.84 7.667 123 3061.89 7.662 383 3060.18 7.658 136 3057.37 7.651 30 3055.79 7.647 171 3054.44 7.643 292 3053.22 7.640 151 3021.00 7.560 33 3020.39 7.558 41 3018.80 7.554 115 3017.21 7.550 480 3015.63 7.546 210 3012.82 7.539 59 3009.16 7.530 656 3007.93 7.527 206 3005.86 7.522 45 3005.37 7.521 45 3004.88 7.519 43 3003.42 7.516 145 3001.71 7.511 335 3001.22 7.510 238 3000.24 7.508 91
in CDCl3
