Product Name8-Anilino-1-naphthalenesulfonic acid
CAS82-76-8
Molecular FormulaC16H13NO3S
Molecular Weight299.34
InChIInChI=1S/C16H13NO3S/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)
InChIKey FWEOQOXTVHGIFQ-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=C2C(C=CC=C2NC2=CC=CC=C2)=CC=C1
Mass
MS-IW-3895 8-anilino-1-naphthalenesulfonic acid C16H13NO3S (Mass of molecular ion: 299)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 3.7 39.0 2.1 50.0 1.2 51.0 4.6 62.0 1.0 63.0 3.1 64.0 1.1 65.0 1.6 74.0 1.3 75.0 2.1 76.0 1.5 77.0 4.5 81.0 1.3 81.5 2.7 82.0 2.1 82.5 1.4 87.0 1.4 88.0 2.0 89.0 1.8 93.0 1.2 93.5 2.8 94.0 4.8 94.5 8.2 95.0 2.5 95.5 8.0 96.0 1.4 101.0 1.3 102.0 2.0 107.0 1.0 107.5 16.2 108.0 7.1 108.5 30.0 109.0 14.9 109.5 2.8 113.0 2.0 114.0 2.3 115.0 4.8 126.0 1.6 127.0 1.9 139.0 1.2 140.0 1.7 163.0 2.4 164.0 1.6 165.0 1.4 172.0 1.6 187.0 1.7 188.0 2.7 189.0 9.7 190.0 7.0 191.0 1.9 204.0 2.6 214.0 7.5 215.0 9.6 216.0 80.4 217.0 100.0 218.0 93.6 219.0 20.1 220.0 2.2 281.0 8.0 282.0 1.5 299.0 85.8 300.0 16.2 301.0 5.8
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C16 H13 N O3 S | 0.040 g : 0.5 ml DMSO-d6 |
8-anilino-1-naphthalenesulfonic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
4343.98 10.870 41 4343.06 10.868 48 4331.52 10.839 763 4316.87 10.802 44 4316.32 10.801 41 4315.95 10.800 40 4315.40 10.798 37 4314.85 10.797 35 4314.48 10.796 33 4314.12 10.795 32 4313.75 10.794 31 3306.16 8.273 451 3304.69 8.269 506 3301.03 8.260 46 3298.83 8.255 505 3297.36 8.251 519 3152.84 7.890 373 3151.75 7.887 400 3148.45 7.879 42 3144.79 7.869 442 3143.32 7.866 418 3002.10 7.512 326 3000.63 7.509 387 2996.97 7.499 47 2994.59 7.494 450 2993.12 7.490 529 2982.13 7.462 266 2981.03 7.460 301 2977.55 7.451 49 2974.26 7.443 544 2973.16 7.440 450 2967.85 7.427 31 2961.80 7.411 468 2956.86 7.399 624 2954.48 7.393 598 2953.93 7.392 643 2949.16 7.380 694 2946.42 7.373 470 2941.47 7.361 288 2892.75 7.239 69 2890.73 7.234 469 2888.72 7.229 188 2883.59 7.216 672 2882.12 7.212 895 2878.46 7.203 90 2877.00 7.199 240 2874.98 7.194 755 2872.97 7.189 155 2843.48 7.115 765 2842.38 7.113 1000 2840.36 7.108 299 2834.87 7.094 710 2833.77 7.091 608 2723.14 6.814 153 2722.04 6.812 281 2720.94 6.809 185 2718.19 6.802 38 2714.71 6.793 520 2708.67 6.778 154 2707.57 6.775 252 2706.47 6.773 156
in DMSO-d6
KBr disc
nujol mull
8-Anilino-1-naphthalenesulfonic acid (82-76-8) IR1 Atlas of Related Products
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