N-Nitrosodibutylamine(924-16-3) MS
Product NameN-Nitrosodibutylamine
CAS924-16-3
Molecular FormulaC8H18N2O
Molecular Weight158.24
InChIInChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
InChIKey YGJHZCLPZAZIHH-UHFFFAOYSA-N
SmilesC(N(CCCC)N=O)CCC
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MassMS-NW-2105 n-nitrosodibutylamine C8H18N2O (Mass of molecular ion: 158)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.2 18.0 3.8 26.0 1.5 27.0 19.6 28.0 8.2 29.0 51.8 30.0 32.8 39.0 9.8 40.0 1.4 41.0 55.0 42.0 34.9 43.0 43.7 44.0 22.3 45.0 1.2 53.0 1.4 54.0 1.9 55.0 10.6 56.0 14.2 57.0 91.5 58.0 5.0 68.0 1.1 70.0 8.3 71.0 1.1 72.0 7.0 73.0 1.5 74.0 7.6 84.0 100.0 85.0 10.2 86.0 16.1 98.0 1.2 99.0 19.1 100.0 1.5 103.0 4.1 112.0 1.7 115.0 20.7 116.0 30.7 117.0 1.8 129.0 1.2 141.0 9.7 142.0 1.0 158.0 15.5 159.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 N2 O 0.04 ml : 0.5 ml CDCl3 N-nitrosodibutylamine 
Assign. Shift(ppm)
A 4.07 B 3.53 C 1.75 D 1.39 E 0.97 F 0.93
Hz ppm Int.372.19 4.156 335 368.88 4.119 32 368.50 4.115 33 365.19 4.078 584 361.44 4.036 33 358.00 3.998 454 324.50 3.624 223 322.56 3.602 84 317.75 3.548 284 317.13 3.541 304 316.31 3.532 233 313.44 3.500 67 309.88 3.461 306 306.88 3.427 30 171.25 1.913 91 169.94 1.898 57 163.81 1.830 123 162.31 1.813 94 161.38 1.802 89 159.38 1.780 53 156.56 1.749 193 156.00 1.742 190 153.88 1.719 135 148.75 1.661 204 146.94 1.641 107 146.13 1.632 97 141.94 1.585 184 140.38 1.568 120 137.88 1.540 141 136.25 1.522 129 134.38 1.501 269 132.00 1.474 206 129.50 1.446 323 127.81 1.428 293 126.81 1.416 354 124.56 1.391 326 123.25 1.377 289 122.13 1.364 419 119.88 1.339 377 117.56 1.313 243 116.56 1.302 164 115.44 1.289 125 115.13 1.286 126 113.44 1.267 260 112.44 1.256 210 111.13 1.241 160 108.19 1.209 90 107.13 1.197 115 105.44 1.178 121 104.63 1.169 115 103.06 1.151 65 101.50 1.134 43 100.81 1.126 36 99.69 1.114 43 98.56 1.101 74 94.38 1.054 292 93.44 1.044 483 86.94 0.971 1000 82.13 0.918 846 79.63 0.890 393 77.50 0.866 226 74.75 0.835 153 73.00 0.816 66 72.38 0.809 75
in CDCl3
CCl4 solution
liquid film
