tert-Butyl isocyanide(7188-38-7) IR1
Product Nametert-Butyl isocyanide
CAS7188-38-7
Molecular FormulaC5H9N
Molecular Weight83.13
InChIInChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChIKey FAGLEPBREOXSAC-UHFFFAOYSA-N
SmilesC(C)(C)(C)[N+]#[C-]
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MassMS-IW-6322 tert-butyl isocyanide C5H9N (Mass of molecular ion: 83)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.3 26.0 4.3 27.0 22.3 28.0 8.0 29.0 13.0 37.0 2.4 38.0 3.8 39.0 27.3 40.0 8.4 41.0 95.2 42.0 34.6 43.0 1.6 50.0 3.1 51.0 5.0 52.0 11.1 53.0 3.1 54.0 1.4 55.0 5.9 56.0 11.4 57.0 97.1 58.0 4.8 64.0 1.0 66.0 6.1 67.0 12.5 68.0 100.0 69.0 5.2 79.0 7.3 83.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H9 N 0.05 ml : 0.5 ml CDCl3 tert-butyl isocyanide 
Assign. Shift(ppm)
A 1.446 J(N-14,A)=2.1HZ
Hz ppm Int.599.24 1.500 22 597.29 1.495 27 579.96 1.452 946 577.88 1.446 1000 575.81 1.441 998
in CDCl3
liquid film
4880 A,200 M,liquid
