tert-Butyl nitrite(540-80-7) IR1
Product Nametert-Butyl nitrite
CAS540-80-7
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3
InChIKey IOGXOCVLYRDXLW-UHFFFAOYSA-N
SmilesN(=O)OC(C)(C)C
-
MassMS-NW-4194 tert-butyl nitrite C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.9 15.0 12.8 18.0 1.7 26.0 2.1 27.0 9.1 28.0 3.1 29.0 12.8 30.0 100.0 31.0 8.7 38.0 1.0 39.0 6.0 40.0 1.0 41.0 18.2 42.0 3.3 43.0 56.4 44.0 1.6 45.0 2.2 55.0 2.1 56.0 3.0 57.0 27.9 58.0 5.9 59.0 24.4 60.0 1.2 88.0 21.7
parameter in CDCl3
-
1H NMR 300 MHz C4 H9 N O2 0.02 ml : 0.5 ml CDCl3 tert-butyl nitrite 
Parameter ppm Hz
D(A) 1.590
Hz ppm Int.477.00 1.590 1000
in CDCl3
liquid film
