tert-Butyl cyanoacetate(1116-98-9) IR1
Product Nametert-Butyl cyanoacetate
CAS1116-98-9
Molecular FormulaC7H11NO2
Molecular Weight141.17
InChIInChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChIKey BFNYNEMRWHFIMR-UHFFFAOYSA-N
SmilesC(OC(C)(C)C)(=O)CC#N
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MassMS-IW-8354 tert-butyl cyanoacetate C7H11NO2 (Mass of molecular ion: 141)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.6 26.0 1.2 27.0 5.9 28.0 6.8 29.0 13.0 31.0 3.9 38.0 3.3 39.0 18.4 40.0 17.1 41.0 69.9 42.0 3.6 43.0 6.0 44.0 21.2 45.0 3.1 50.0 1.7 51.0 1.5 53.0 2.3 55.0 9.8 56.0 33.0 57.0 47.3 58.0 2.9 59.0 100.0 60.0 4.1 67.0 1.5 68.0 14.8 126.0 5.4
parameter in CDCl3
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1H NMR 300 MHz C7 H11 N O2 0.05 ml : 0.5 ml CDCl3 tert-butyl cyanoacetate 
Parameter ppm Hz
D(A) 3.406 D(B) 1.500
Hz ppm Int.1021.80 3.406 222 450.00 1.500 1000
in CDCl3
liquid film
