tert-Butylisocyanate(1609-86-5) MS
Product Nametert-Butylisocyanate
CAS1609-86-5
Molecular FormulaC5H9NO
Molecular Weight99.13
InChIInChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChIKey MGOLNIXAPIAKFM-UHFFFAOYSA-N
SmilesCC(N=C=O)(C)C
-
MassMS-NW-2970 tert-butyl isocyanate C5H9NO (Mass of molecular ion: 99)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 8.0 26.0 1.5 27.0 5.8 28.0 7.0 29.0 10.1 39.0 6.0 40.0 2.9 41.0 17.1 42.0 2.9 43.0 1.1 54.0 1.1 55.0 2.1 56.0 26.4 57.0 7.5 84.0 100.0 85.0 5.0
parameter in CDCl3
-
1H NMR 300 MHz C5 H9 N O 0.04 ml : 0.5 ml CDCl3 tert-butyl isocyanate 
Parameter ppm Hz
D(A) 1.363
Hz ppm Int.408.90 1.363 1000
in CDCl3
liquid film
TUNGSTEN(II) COMPLEX, IN CH2CL2
