Dimethylditetradecylammonium bromide(68105-02-2) IR2
Product NameDimethylditetradecylammonium bromide
CAS68105-02-2
Molecular FormulaC30H64BrN
Molecular Weight518.74
InChIInChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKey IRMGVPILCPGYNQ-UHFFFAOYSA-M
SmilesC(CCCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
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MassMS-IW-7583 dimethylditetradecylammonium bromide C30H64BrN (Mass of molecular ion: 517)
Source Temperature: 190 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.1 18.0 3.0 29.0 1.9 41.0 4.9 42.0 2.5 43.0 9.6 44.0 17.5 55.0 6.2 56.0 2.2 57.0 13.2 58.0 35.4 59.0 1.5 67.0 1.1 69.0 4.4 70.0 4.5 71.0 4.9 78.0 1.0 82.0 1.2 83.0 2.8 84.0 4.4 85.0 2.5 91.0 1.7 92.0 1.7 94.0 5.3 96.0 5.1 97.0 1.8 98.0 1.6 135.0 3.8 137.0 3.7 226.0 1.7 227.0 1.1 236.0 1.2 238.0 11.4 239.0 2.3 240.0 100.0 241.0 18.7 242.0 1.7 266.0 8.9 267.0 1.8 292.0 1.9 422.0 3.0 423.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C30 H64 Br N 0.040 g : 0.5 ml CDCl3 dimethylditetradecylammonium bromide 
Assign. Shift(ppm)
A 3.529 B 3.421 C 1.71 D 1.36 E 1.26 F 0.881
Hz ppm Int.1419.68 3.553 43 1414.43 3.540 32 1414.06 3.539 32 1411.25 3.532 38 1407.84 3.523 32 1407.59 3.523 32 1402.59 3.510 46 1367.43 3.422 301 681.40 1.705 32 680.42 1.703 32 679.20 1.700 31 542.72 1.358 71 542.24 1.357 71 532.84 1.334 34 527.95 1.322 39 527.59 1.321 39 525.76 1.316 35 520.39 1.303 57 501.59 1.256 1000 359.01 0.899 90 352.29 0.882 299 345.21 0.864 113
in CDCl3
KBr disc
nujol mull
