tert-Butyl chloroacetate(107-59-5) IR1
Product Nametert-Butyl chloroacetate
CAS107-59-5
Molecular FormulaC6H11ClO2
Molecular Weight150.6
InChIInChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKey KUYMVWXKHQSIAS-UHFFFAOYSA-N
SmilesC(OC(C)(C)C)(=O)CCl
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MassMS-IW-3835 tert-butyl chloroacetate C6H11ClO2 (Mass of molecular ion: 150)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 27.0 5.0 28.0 1.5 29.0 16.7 31.0 1.7 39.0 9.2 40.0 1.6 41.0 35.8 42.0 5.1 43.0 9.5 49.0 14.8 50.0 1.6 51.0 5.0 55.0 3.8 56.0 9.0 57.0 91.7 58.0 5.4 59.0 100.0 60.0 4.5 77.0 29.7 78.0 1.0 79.0 9.7 135.0 28.4 136.0 1.6 137.0 9.3
parameter in CDCl3
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1H NMR 300 MHz C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3 tert-butyl chloroacetate 
Parameter ppm Hz
D(A) 3.977 D(B) 1.492
Hz ppm Int.1193.11 3.977 637 447.59 1.492 1000
in CDCl3
liquid film
