tert-Butyl Hypochlorite(507-40-4) 1H NMR
Product Nametert-Butyl Hypochlorite
CAS507-40-4
Molecular FormulaC4H9ClO
Molecular Weight108.57
InChIInChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3
InChIKey IXZDIALLLMRYOU-UHFFFAOYSA-N
SmilesClOC(C)(C)C
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MassMS-NW-4351 tert-butyl hypochlorite C4H9ClO (Mass of molecular ion: 108)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 7.3 18.0 1.4 26.0 2.2 27.0 9.5 29.0 12.3 31.0 23.1 36.0 1.0 37.0 1.4 38.0 1.8 39.0 8.1 40.0 1.1 41.0 20.0 42.0 3.9 43.0 50.0 44.0 1.6 47.0 1.8 48.0 1.0 49.0 4.8 50.0 6.3 51.0 1.6 52.0 2.0 53.0 1.1 55.0 3.8 56.0 2.4 57.0 11.6 58.0 4.0 59.0 100.0 60.0 3.7 62.0 1.0 63.0 2.1 73.0 1.8 77.0 2.6 83.0 2.3 84.0 1.4 85.0 1.6 91.0 1.4 93.0 14.4 95.0 4.4 117.0 1.6 119.0 1.3 125.0 1.0 127.0 1.5
parameter in CDCl3
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1H NMR 300 MHz C4 H9 Cl O 0.05 ml : 0.5 ml CDCl3 tert-butyl hypochlorite 
Parameter ppm Hz
D(A) 1.333
Hz ppm Int.399.90 1.333 1000
in CDCl3
liquid film
4880 A,200 M,liquid
