BIS(4-DIETHYLAMINOPHENYL)METHANOL(134-91-8) MS
Product NameBIS(4-DIETHYLAMINOPHENYL)METHANOL
CAS134-91-8
Molecular FormulaC21H30N2O
Molecular Weight326.48
InChIInChI=1S/C21H30N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16,21,24H,5-8H2,1-4H3
InChIKey WCIQBUVXZZYFJP-UHFFFAOYSA-N
SmilesC1(=CC=C(N(CC)CC)C=C1)C(O)C1C=CC(N(CC)CC)=CC=1
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MassMS-IW-7567 4,4'-bis(diethylamino)benzhydryl alcohol C21H30N2O (Mass of molecular ion: 326)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.0 18.0 5.0 28.0 1.2 29.0 1.9 77.0 2.2 78.0 1.1 79.0 1.0 90.0 1.0 91.0 2.0 96.5 1.0 104.0 2.1 105.0 1.8 106.0 3.1 111.0 1.3 112.0 5.8 112.5 1.0 117.0 1.2 118.0 10.2 119.0 5.6 120.0 5.7 125.0 1.6 126.0 5.8 126.5 1.1 127.0 1.8 132.0 7.7 133.0 5.1 134.0 9.1 140.0 16.5 140.5 3.7 141.0 2.1 146.0 2.0 147.0 6.7 147.5 3.6 148.0 18.9 148.5 3.7 149.0 2.3 150.0 15.2 151.0 2.0 152.0 1.0 155.0 4.1 155.5 3.1 160.0 1.4 162.0 4.9 163.0 4.7 165.0 3.7 166.0 1.7 176.0 12.9 177.0 2.1 178.0 4.1 194.0 1.6 221.0 2.2 222.0 1.0 223.0 4.8 224.0 1.1 235.0 1.2 237.0 3.9 238.0 2.3 239.0 2.2 251.0 16.7 252.0 4.0 253.0 1.3 265.0 12.5 266.0 4.0 267.0 13.4 268.0 2.7 279.0 2.5 280.0 1.5 281.0 5.7 282.0 3.8 283.0 1.1 293.0 2.2 295.0 100.0 296.0 23.4 297.0 2.9 307.0 1.2 309.0 80.2 310.0 68.8 311.0 56.6 312.0 11.4 313.0 1.3 323.0 1.1 324.0 12.5 325.0 10.3 326.0 46.2 327.0 10.7 328.0 1.3 335.0 1.6 350.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H30 N2 O 0.040 g : 0.5 ml CDCl3 4,4'-bis(diethylamino)benzhydryl alcohol 
Assign. Shift(ppm)
A 7.20 B 6.628 C 5.662 D 3.317 E 2.01 F 1.129
Hz ppm Int.2880.98 7.209 214 2879.27 7.205 97 2874.15 7.192 73 2872.44 7.188 234 2872.07 7.187 221 2653.44 6.640 239 2651.37 6.635 79 2646.61 6.623 74 2644.53 6.618 234 2642.33 6.612 50 2264.65 5.667 44 2261.35 5.659 46 1336.67 3.345 121 1329.59 3.327 403 1322.63 3.310 431 1315.55 3.292 162 806.76 2.019 53 803.22 2.010 54 458.13 1.147 466 455.81 1.141 94 451.17 1.129 1000 448.73 1.123 206 444.09 1.112 494 441.65 1.106 95
in CDCl3
KBr disc
nujol mull
