Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
CAS101912-16-7
MFC28H44ClNO2
MW462.12
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MassMS-NW-9119 benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride C28H44ClNO2 2H2O (Mass of molecular ion: 461)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.5 39.0 1.2 41.0 1.3 42.0 1.0 43.0 1.1 44.0 1.7 57.0 3.4 58.0 100.0 59.0 4.0 65.0 2.2 72.0 6.7 89.0 2.5 91.0 17.5 92.0 1.4 116.0 13.7 117.0 1.2 126.0 3.4 128.0 1.1 134.0 5.7 148.0 1.2 149.0 1.6 175.0 1.4 264.0 1.7 335.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C28 H44 Cl N O2 0.045 g : 0.5 ml CDCl3 benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride 
Assign. Shift(ppm)
A 7.650 B 7.42 C 7.38 D 7.10 E 7.09 F 6.687 G 5.009 J 4.12 K 4.081 L 3.952 M 3.888 N 3.325 P 3.19 Q 2.151 R 1.675 S 1.313 T 0.706
Hz ppm Int.3060.91 7.659 62 3054.32 7.643 67 3052.73 7.639 55 2966.80 7.424 37 2959.72 7.406 43 2954.47 7.393 64 2948.85 7.379 41 2947.14 7.375 66 2837.89 7.101 87 2830.81 7.084 30 2676.15 6.697 32 2001.95 5.010 121 1645.51 4.118 41 1645.14 4.117 41 1644.04 4.114 40 1643.68 4.113 40 1642.70 4.111 39 1635.25 4.092 46 1632.32 4.085 49 1630.98 4.082 51 1628.91 4.076 46 1626.46 4.070 45 1583.50 3.963 42 1582.03 3.959 37 1581.05 3.957 38 1578.74 3.951 42 1574.46 3.940 33 1558.11 3.899 49 1555.66 3.893 45 1553.71 3.888 50 1552.25 3.885 45 1549.44 3.877 40 1329.10 3.326 328 1276.12 3.194 279 859.74 2.152 262 669.43 1.676 160 525.02 1.314 454 282.47 0.707 1000
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1H NMR 89.56 MHz C28 H44 Cl N O2 0.041 g : 0.5 ml CDCl3 benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride Assign. Shift(ppm)
A 7.64 B 7.46 to 7.35 C 7.12 to 7.03 D 6.69 E 5.026 F 4.13 to 3.85 G 3.330 J 3.06 K 2.149 L 1.673 M 1.312 N 0.708 400MHZ. : HSP-41-752
Hz ppm Int.688.31 7.686 34 684.81 7.647 41 684.44 7.643 41 684.00 7.638 39 680.94 7.604 52 664.81 7.424 96 662.88 7.402 88 659.50 7.364 49 658.13 7.349 43 638.13 7.126 34 637.00 7.113 42 636.44 7.107 43 635.63 7.098 37 634.56 7.086 45 632.06 7.058 39 602.50 6.728 47 450.19 5.027 106 370.38 4.136 46 369.81 4.130 48 367.06 4.099 72 366.56 4.093 73 365.69 4.084 71 364.38 4.069 80 364.00 4.065 82 363.38 4.058 75 363.06 4.054 77 362.19 4.045 82 361.63 4.038 81 360.19 4.022 62 359.69 4.017 63 359.31 4.012 63 358.75 4.006 63 355.69 3.972 37 354.81 3.962 36 352.06 3.931 72 350.31 3.912 57 349.75 3.906 59 347.88 3.885 41 346.50 3.869 47 346.13 3.865 45 298.31 3.331 292 274.13 3.061 33 192.63 2.151 255 150.00 1.675 151 117.63 1.314 451 63.44 0.709 1000
in CDCl3
KBr disc
nujol mull
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