N-(1-NAPHTHYL)-3-AMINOPROPANESULFONIC ACID SODIUM SALT(104484-71-1) IR2
Molecular FormulaC13H14NNaO3S
Molecular Weight287.31
InChIInChI=1S/C13H15NO3S.Na/c15-18(16,17)10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8,14H,4,9-10H2,(H,15,16,17);/q;+1/p-1
InChIKey HSOPFPPLFWZKJN-UHFFFAOYSA-M
SmilesC12C=CC=CC1=CC=CC=2NCCCS([O-])(=O)=O.[Na+]
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H14 N Na O3 S 0.035 g : 0.5 ml DMSO-d6 sodium 3-(1-naphthylamino)-1-propanesulfonate 
Assign. Shift(ppm)
A 8.172 B 7.733 C *1 7.415 D *1 7.374 E 7.269 F 7.072 G 6.493 J 6.38 K 3.286 L 2.655 M 2.035
Hz ppm Int.3270.51 8.184 428 3266.60 8.174 66 3266.36 8.174 66 3265.75 8.172 64 3265.26 8.171 73 3264.89 8.170 85 3262.21 8.163 462 3095.46 7.746 425 3093.99 7.742 495 3091.67 7.736 72 3090.82 7.734 66 3090.09 7.732 68 3085.94 7.722 506 2972.29 7.438 225 2971.07 7.435 267 2969.60 7.431 73 2968.75 7.429 63 2968.14 7.427 68 2965.58 7.421 470 2964.36 7.418 538 2963.01 7.415 279 2960.94 7.409 75 2960.57 7.408 74 2959.84 7.407 75 2957.76 7.401 460 2956.18 7.397 432 2953.86 7.392 416 2952.27 7.388 447 2949.71 7.381 76 2948.85 7.379 79 2947.02 7.375 255 2945.43 7.371 494 2944.09 7.367 420 2940.92 7.359 55 2938.72 7.354 220 2937.26 7.350 201 2913.57 7.291 393 2909.67 7.281 56 2909.06 7.280 63 2905.64 7.271 792 2902.59 7.263 66 2902.22 7.262 56 2901.73 7.261 57 2900.88 7.259 53 2900.51 7.258 55 2897.83 7.251 510 2833.01 7.089 64 2829.96 7.082 649 2826.17 7.072 64 2825.44 7.070 62 2821.90 7.061 538 2602.66 6.513 53 2602.29 6.512 58 2598.88 6.503 574 2598.51 6.502 570 2595.34 6.495 73 2595.09 6.494 73 2594.48 6.492 73 2591.43 6.485 552 2591.06 6.484 555 2560.42 6.407 55 2559.69 6.405 68 2556.88 6.398 217 2556.52 6.397 221 2551.51 6.385 421 2548.46 6.377 147 2546.39 6.372 216 2546.02 6.371 218 2543.70 6.365 73 1322.88 3.311 275 1316.16 3.294 624 1310.67 3.280 626 1307.01 3.271 170 1306.40 3.269 149 1303.83 3.263 284 1301.03 3.256 68 1300.66 3.255 55 1073.61 2.687 64 1073.36 2.686 64 1071.90 2.683 92 1068.60 2.674 671 1065.31 2.666 140 1061.52 2.657 1000 1053.96 2.638 726 829.22 2.075 73 827.27 2.070 180 824.34 2.063 98 823.97 2.062 98 823.61 2.061 108 820.31 2.053 515 816.65 2.044 163 812.99 2.035 676 809.33 2.026 147 805.79 2.017 477 802.25 2.008 76 801.76 2.007 63 801.03 2.005 69 798.83 1.999 142
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1H NMR 89.56 MHz C13 H14 N Na O3 S 0.036 g : 0.5 ml DMSO-d6 sodium 3-(1-naphthylamino)-1-propanesulfonate Assign. Shift(ppm)
A 8.17 B 7.723 C 7.58 to 7.24 D 7.28 E 7.08 F 6.50 G 6.36 J 3.29 K 2.66 L 2.04 SIGNAL J OVERLAPPED BY H2O.
Hz ppm Int.736.50 8.224 250 734.69 8.204 188 734.38 8.200 169 731.44 8.168 246 731.13 8.164 251 729.81 8.149 205 729.44 8.145 197 726.88 8.117 282 697.50 7.789 241 694.63 7.757 186 694.25 7.752 189 693.06 7.739 287 689.63 7.701 273 687.94 7.682 404 671.00 7.493 172 666.44 7.442 661 665.69 7.433 600 664.19 7.417 430 663.19 7.405 235 661.44 7.386 537 659.31 7.362 413 659.00 7.359 409 658.19 7.350 429 656.75 7.334 458 655.94 7.325 387 654.63 7.310 139 654.25 7.306 140 651.63 7.276 558 644.13 7.193 520 636.19 7.104 562 628.63 7.020 248 585.38 6.537 429 578.00 6.454 403 577.13 6.445 373 575.19 6.423 195 574.06 6.410 169 573.50 6.404 160 569.50 6.359 307 567.38 6.336 152 565.38 6.313 147 565.00 6.309 151 564.56 6.304 159 564.19 6.300 168 302.63 3.380 1000 299.19 3.341 513 297.81 3.326 601 297.50 3.322 597 295.06 3.295 287 294.50 3.289 280 292.13 3.262 556 287.44 3.210 185 286.94 3.204 202 286.06 3.195 241 285.44 3.188 259 285.31 3.186 259 245.69 2.744 313 238.63 2.665 783 235.06 2.625 154 233.88 2.612 158 233.38 2.606 186 231.25 2.583 607 196.56 2.195 145 195.88 2.188 149 195.56 2.184 152 195.00 2.178 138 188.88 2.109 412 186.56 2.084 191 185.88 2.076 149 185.13 2.068 157 181.88 2.031 512 177.75 1.985 143 175.31 1.958 295 174.94 1.954 297 174.50 1.949 302
KBr disc
nujol mull
