Tris(dimethylaminomethyl)phenol (90-72-2) MS
Product NameTris(dimethylaminomethyl)phenol
CAS90-72-2
Molecular FormulaC15H27N3O
Molecular Weight265.39
InChIInChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
InChIKey AHDSRXYHVZECER-UHFFFAOYSA-N
SmilesC1(O)=C(CN(C)C)C=C(CN(C)C)C=C1CN(C)C
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MassMS-NW-1443 2,4,6-tris(dimethylaminomethyl)phenol C15H27N3O (Mass of molecular ion: 265)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 7.2 18.0 8.0 27.0 2.6 28.0 13.1 29.0 1.7 30.0 6.3 39.0 3.3 40.0 2.1 41.0 3.3 42.0 21.5 43.0 8.2 44.0 75.9 45.0 27.0 46.0 6.9 51.0 1.7 53.0 1.0 57.0 1.9 58.0 40.2 59.0 1.7 63.0 1.2 65.0 4.3 77.0 5.2 78.0 3.0 79.0 5.5 82.0 1.0 89.0 1.4 90.0 1.1 91.0 11.7 92.0 2.6 94.0 1.5 102.0 1.3 103.0 4.9 104.0 4.9 105.0 10.9 106.0 4.2 110.0 3.1 117.0 1.1 118.0 1.4 119.0 5.3 120.0 4.4 121.0 1.5 131.0 1.1 132.0 7.8 133.0 22.0 134.0 12.0 135.0 2.0 146.0 4.2 147.0 1.2 148.0 8.4 149.0 1.1 160.0 1.2 161.0 1.7 162.0 22.0 163.0 13.9 164.0 3.6 174.0 1.1 175.0 14.4 176.0 100.0 177.0 27.5 178.0 14.5 179.0 2.1 193.0 2.0 205.0 3.4 208.0 3.6 220.0 43.7 221.0 11.6 222.0 4.5 248.0 1.0 250.0 5.4 251.0 1.0 263.0 1.3 265.0 19.7 266.0 3.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H27 N3 O 0.05 ml : 0.5 ml CDCl3 2,4,6-tris(dimethylaminomethyl)phenol 
Assign. Shift(ppm)
A 6.948 B 3.525 C 3.296 D 2.283 E 2.210
Hz ppm Int.2777.10 6.949 235 1412.60 3.535 92 1408.81 3.526 414 1317.38 3.297 238 927.12 2.320 31 924.68 2.314 46 923.22 2.311 53 912.35 2.283 1000 890.50 2.229 23 883.42 2.211 696
in CDCl3
liquid film
