N-TERT-BUTYLFORMAMIDE(2425-74-3) MS
Product NameN-TERT-BUTYLFORMAMIDE
CAS2425-74-3
Molecular FormulaC5H11NO
Molecular Weight101.15
InChIInChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
InChIKey SDLAKRCBYGZJRW-UHFFFAOYSA-N
SmilesC(NC(C)(C)C)=O
-
MassMS-NW-6060 N-tert-butylformamide C5H11NO (Mass of molecular ion: 101)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 6.4 18.0 9.1 26.0 1.3 27.0 7.0 28.0 6.2 29.0 10.6 30.0 7.0 38.0 1.2 39.0 9.8 40.0 2.6 41.0 33.2 42.0 17.4 43.0 4.1 44.0 1.8 45.0 1.4 46.0 53.7 55.0 4.2 56.0 16.5 57.0 11.0 58.0 100.0 59.0 5.0 86.0 41.8 87.0 2.2 101.0 11.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H11 N O 0.05 ml : 0.5 ml CDCl3 N-tert-butylformamide 
Assign. Shift(ppm)
A 8.244 B 8.006 C 7.51 D 6.83 E *1 1.368 F *1 1.343 MIXTURE OF ISOMERS DUE TO C-N HINDERED ROTATION
Hz ppm Int.3301.27 8.261 100 3288.94 8.230 107 3201.05 8.010 109 3198.73 8.004 109 570.92 1.429 23 570.31 1.428 22 547.00 1.369 1000 536.74 1.344 981
in CDCl3
liquid film
4880 A,200 M,liquid
