Tetrabutylurea(4559-86-8) 1H NMR
Product NameTetrabutylurea
CAS4559-86-8
Molecular FormulaC17H36N2O
Molecular Weight284.48
InChIInChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKey SNDGLCYYBKJSOT-UHFFFAOYSA-N
SmilesN(CCCC)(CCCC)C(N(CCCC)CCCC)=O
-
MassMS2014-05046CW tetrabutylurea C17H36N2O (Mass of molecular ion: 284)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 1.9 28.0 16.4 29.0 10.2 30.0 2.7 32.0 4.0 39.0 1.2 41.0 14.4 42.0 3.7 43.0 2.8 44.0 3.3 55.0 3.5 56.0 2.8 57.0 57.4 58.0 2.7 70.0 1.3 72.0 1.4 84.0 4.0 86.0 22.2 87.0 1.3 99.0 1.3 100.0 16.6 101.0 1.1 112.0 1.0 114.0 1.0 128.0 34.0 129.0 4.6 130.0 1.4 155.0 2.7 156.0 100.0 157.0 10.0 185.0 2.9 227.0 1.5 228.0 1.6 241.0 8.4 242.0 1.4 284.0 6.6 285.0 1.3
400 MHz in CDCl3
in CDCl3
-
1H NMR 399.65 MHz C17 H36 N2 O 0.04 ml : 0.5 ml CDCl3 tetrabutylurea 
Assign. Shift(ppm)
A 3.102 B 1.479 C 1.283 D 0.912
Hz ppm Int.1246.95 3.121 273 1239.50 3.102 290 1237.55 3.097 136 1232.06 3.083 266 606.57 1.518 61 599.37 1.500 127 597.05 1.494 95 593.75 1.486 113 591.55 1.481 210 588.75 1.474 104 585.45 1.465 116 584.11 1.462 136 582.15 1.457 95 576.54 1.443 73 530.52 1.328 52 523.07 1.309 147 515.63 1.291 198 507.93 1.271 190 500.61 1.253 122 493.41 1.235 39 377.08 0.944 33 371.58 0.930 545 364.26 0.912 1000 356.93 0.894 422
-
in CDCl3
liquid film
