8-Anilino-1-naphthalenesulfonic acid ammonium salt(28836-03-5) MS
Product Name8-Anilino-1-naphthalenesulfonic acid ammonium salt
CAS28836-03-5
Molecular FormulaC16H16N2O3S
Molecular Weight316.38
InChIInChI=1S/C16H13NO3S.H3N/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);1H3
InChIKey IPBNQYLKHUNLQE-UHFFFAOYSA-N
SmilesS(C1=CC=CC2=CC=CC(NC3C=CC=CC=3)=C12)(O)(=O)=O.N
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MassMS-NW-8506 ammonium 8-anilino-1-naphthalenesulfonate C16H16N2O3S (Mass of molecular ion: 316)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
16.0 1.5 17.0 3.4 18.0 9.4 39.0 2.7 50.0 1.8 51.0 6.5 62.0 1.4 63.0 3.8 64.0 1.3 65.0 1.1 74.0 1.8 75.0 2.5 76.0 1.6 77.0 4.0 81.0 1.4 81.5 3.1 82.0 2.2 82.5 1.3 87.0 1.7 88.0 2.0 89.0 1.5 93.0 1.1 93.5 3.2 94.0 5.6 94.5 7.7 95.0 2.2 95.5 7.3 96.0 1.2 101.0 1.2 102.0 1.8 107.5 15.1 108.0 6.0 108.5 18.3 109.0 5.4 109.5 1.4 113.0 2.1 114.0 1.7 115.0 3.2 126.0 1.4 127.0 1.6 139.0 1.1 140.0 1.5 150.0 1.0 163.0 3.4 164.0 2.1 165.0 1.5 172.0 1.2 177.0 1.0 187.0 2.7 188.0 4.3 189.0 13.4 190.0 9.7 191.0 2.1 204.0 2.2 214.0 10.4 215.0 10.7 216.0 100.0 217.0 85.1 218.0 42.6 219.0 22.3 220.0 3.4 281.0 79.0 282.0 14.8 283.0 5.2 299.0 23.8 300.0 4.5 301.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H16 N2 O3 S 0.038 g : 0.5 ml DMSO-d6 ammonium 8-anilino-1-naphthalenesulfonate 
Assign. Shift(ppm)
A 10.62 B 8.252 C 7.875 D 7.497 E 7.438 F 7.39 G 7.38 J 7.204 K 7.092 L 7.09 M 6.781
Hz ppm Int.4243.47 10.618 334 3302.76 8.265 404 3301.24 8.261 474 3295.44 8.246 456 3293.91 8.242 484 3152.62 7.889 323 3151.25 7.886 362 3147.43 7.876 52 3144.38 7.868 380 3143.01 7.865 382 3001.71 7.511 305 3000.18 7.508 372 2994.08 7.492 417 2992.55 7.488 492 2978.52 7.453 224 2977.29 7.450 277 2970.58 7.433 498 2969.21 7.430 436 2964.78 7.419 55 2960.66 7.409 429 2956.24 7.398 567 2953.34 7.390 516 2952.73 7.389 565 2948.46 7.378 594 2945.25 7.370 414 2940.83 7.359 244 2896.88 7.249 35 2895.97 7.247 36 2894.44 7.243 41 2890.01 7.232 100 2888.03 7.227 442 2886.05 7.222 231 2880.71 7.209 618 2879.49 7.206 828 2874.15 7.192 269 2872.16 7.187 708 2864.84 7.169 92 2864.38 7.168 93 2863.62 7.166 94 2862.24 7.162 96 2860.11 7.157 98 2859.65 7.156 98 2858.73 7.154 99 2857.36 7.150 102 2838.90 7.104 788 2837.68 7.101 1000 2830.20 7.082 738 2829.13 7.080 681 2813.11 7.039 96 2812.35 7.038 94 2809.60 7.031 85 2807.77 7.026 80 2806.85 7.024 78 2805.48 7.020 73 2803.80 7.016 69 2802.89 7.014 67 2801.36 7.010 64 2799.68 7.006 61 2798.16 7.002 57 2796.94 6.999 53 2795.72 6.996 51 2795.26 6.995 50 2793.88 6.991 46 2793.27 6.990 46 2791.60 6.986 43 2790.07 6.982 42 2788.24 6.977 39 2786.10 6.972 34 2784.12 6.967 31 2783.51 6.965 31 2782.90 6.964 30 2781.98 6.962 30 2718.35 6.802 140 2717.29 6.800 253 2716.06 6.797 182 2711.03 6.784 242 2709.96 6.781 458 2709.05 6.779 294 2703.86 6.766 135 2702.79 6.763 225 2701.57 6.760 147
in D2O
KBr disc
nujol mull
