Dibutyltin dilaurate(77-58-7) 13C NMR
Product NameDibutyltin dilaurate
CAS77-58-7
Molecular FormulaC32H64O4Sn
Molecular Weight631.56
InChIInChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey UKLDJPRMSDWDSL-UHFFFAOYSA-L
Smiles[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)(CCCC)CCCC
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MassMS-NW-9274 dibutyltin didodecanoate C32H64O4Sn (Mass of molecular ion: 632)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.2 18.0 5.5 26.0 1.4 27.0 13.1 28.0 8.0 29.0 26.7 39.0 10.1 40.0 2.0 41.0 50.3 42.0 10.2 43.0 44.7 44.0 2.2 45.0 2.8 53.0 2.7 54.0 3.2 55.0 30.8 56.0 13.3 57.0 52.7 58.0 3.0 59.0 1.5 60.0 28.0 61.0 5.0 67.0 4.6 68.0 3.8 69.0 16.0 70.0 7.9 71.0 17.6 72.0 1.2 73.0 35.0 74.0 3.6 79.0 1.4 81.0 4.7 82.0 5.3 83.0 14.7 84.0 8.9 85.0 14.2 86.0 1.1 87.0 8.7 88.0 1.3 91.0 1.0 93.0 1.2 95.0 3.9 96.0 4.6 97.0 12.3 98.0 18.1 99.0 5.0 101.0 7.2 102.0 1.3 107.0 1.0 109.0 2.5 110.0 3.5 111.0 7.0 112.0 6.5 113.0 1.7 115.0 11.0 116.0 1.4 117.0 2.7 118.0 2.8 119.0 4.6 120.0 3.5 121.0 5.3 123.0 1.2 124.0 1.0 125.0 2.0 129.0 28.7 130.0 2.6 131.0 1.6 133.0 26.8 134.0 14.5 135.0 44.3 136.0 16.1 137.0 58.9 138.0 4.3 139.0 9.1 140.0 4.0 141.0 10.7 143.0 7.6 144.0 1.0 147.0 1.1 149.0 1.1 155.0 1.7 157.0 15.9 158.0 1.8 171.0 6.5 172.0 3.0 173.0 7.2 174.0 5.5 175.0 13.9 176.0 8.0 177.0 18.3 178.0 5.6 179.0 6.4 181.0 3.3 183.0 6.4 185.0 1.9 187.0 2.3 188.0 1.5 189.0 4.3 190.0 2.0 191.0 5.5 193.0 1.8 195.0 1.7 197.0 2.4 198.0 1.4 199.0 3.5 200.0 13.3 201.0 2.6 203.0 1.6 205.0 1.0 211.0 1.4 213.0 1.4 215.0 2.1 217.0 1.5 219.0 1.3 225.0 1.1 227.0 1.6 228.0 1.9 229.0 5.3 230.0 2.6 231.0 7.3 232.0 3.7 233.0 9.7 234.0 2.3 235.0 3.1 236.0 1.1 237.0 1.8 241.0 1.1 243.0 2.5 244.0 1.2 245.0 2.9 246.0 1.4 247.0 3.9 249.0 1.5 251.0 1.6 253.0 1.8 255.0 2.2 256.0 1.3 257.0 4.2 258.0 1.8 259.0 4.9 260.0 2.0 261.0 5.2 262.0 1.1 263.0 2.1 265.0 1.2 267.0 1.2 269.0 1.5 271.0 3.0 272.0 1.9 273.0 4.5 274.0 2.0 275.0 5.2 277.0 1.6 279.0 1.2 283.0 1.2 285.0 3.1 286.0 2.4 287.0 16.2 288.0 11.3 289.0 26.4 290.0 13.4 291.0 29.2 292.0 7.0 293.0 5.6 294.0 1.2 295.0 5.2 296.0 1.4 299.0 1.3 301.0 2.7 302.0 1.4 303.0 3.6 304.0 1.3 305.0 3.6 307.0 1.1 309.0 2.5 310.0 1.2 311.0 7.1 312.0 2.9 313.0 14.1 314.0 7.9 315.0 56.8 316.0 35.4 317.0 90.1 318.0 38.4 319.0 98.6 320.0 13.5 321.0 17.0 322.0 2.5 323.0 16.9 324.0 2.2 329.0 1.2 331.0 1.9 333.0 2.2 341.0 1.3 343.0 6.6 344.0 4.3 345.0 10.8 346.0 4.9 347.0 12.1 348.0 2.1 349.0 2.4 351.0 2.1 361.0 1.0 371.0 3.7 372.0 2.6 373.0 6.9 374.0 3.7 375.0 9.2 376.0 2.1 377.0 3.2 379.0 1.9 397.0 1.3 399.0 1.9 400.0 1.3 401.0 15.5 402.0 11.2 403.0 26.3 404.0 12.6 405.0 32.2 406.0 6.3 407.0 5.6 408.0 1.1 409.0 5.7 410.0 1.3 417.0 1.1 425.0 3.5 426.0 1.0 427.0 3.4 428.0 2.4 429.0 44.9 430.0 32.2 431.0 78.3 432.0 41.8 433.0 100.0 434.0 21.8 435.0 16.0 436.0 3.3 437.0 16.4 438.0 3.7 445.0 1.6 447.0 2.1 451.0 1.2 453.0 2.2 454.0 1.2 455.0 3.3 456.0 1.1 457.0 5.6 458.0 3.3 459.0 8.1 460.0 4.4 461.0 10.1 462.0 2.5 463.0 1.6 465.0 1.6 473.0 1.3 475.0 1.6 489.0 1.2 501.0 1.1 503.0 1.4 515.0 2.6 516.0 2.0 517.0 4.5 518.0 2.3 519.0 5.3 520.0 1.4 521.0 1.0 523.0 1.0 529.0 1.5 531.0 2.0 543.0 10.8 544.0 8.6 545.0 19.9 546.0 11.5 547.0 25.7 548.0 7.4 549.0 4.4 550.0 1.0 551.0 4.2 552.0 1.1 567.0 1.3 569.0 1.0 571.0 17.8 572.0 14.8 573.0 32.8 574.0 20.6 575.0 44.1 576.0 12.5 577.0 7.9 578.0 2.0 579.0 7.0 580.0 2.1 599.0 3.2 600.0 2.6 601.0 5.7 602.0 3.6 603.0 7.6 604.0 2.2 605.0 1.5 607.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C32 H64 O4 Sn 0.04 ml : 0.5 ml CDCl3 dibutyltin didodecanoate 
Assign. Shift(ppm)
A 2.355 B 1.63 C 1.26 D 0.91 E 0.88
Hz ppm Int.218.00 2.435 30 211.38 2.361 77 204.00 2.278 55 154.88 1.730 31 154.06 1.721 32 152.38 1.702 50 147.56 1.648 175 144.94 1.619 169 142.13 1.587 45 140.19 1.566 49 137.19 1.532 30 134.94 1.507 35 134.06 1.497 35 133.13 1.487 33 132.75 1.483 34 131.50 1.469 32 128.75 1.438 48 127.75 1.427 56 126.63 1.414 50 125.00 1.396 55 124.88 1.395 55 122.13 1.364 77 112.81 1.260 1000 87.63 0.979 105 83.69 0.935 63 81.38 0.909 218 78.75 0.880 182 74.00 0.827 63
in CDCl3
liquid film
