CARBONIC ACID TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER(16965-08-5) IR1
Product NameCARBONIC ACID TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER
CAS16965-08-5
Molecular FormulaC11H11Cl3O3
Molecular Weight297.56
InChIInChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3
InChIKey LJFPGBIHDPZHIN-UHFFFAOYSA-N
SmilesC(OC1=CC(Cl)=C(Cl)C=C1Cl)(=O)OC(C)(C)C
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MassMS-IW-2322 tert-butyl 2,4,5-trichlorophenyl carbonate C11H11Cl3O3 (Mass of molecular ion: 296)
Source Temperature: 180 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 6.1 28.0 5.9 29.0 13.0 36.0 1.7 37.0 2.9 38.0 2.9 39.0 18.6 40.0 4.5 41.0 61.9 42.0 3.2 43.0 4.4 44.0 36.3 45.0 6.0 48.0 3.5 49.0 2.6 50.0 3.3 51.0 2.4 53.0 4.6 54.0 1.1 55.0 10.5 56.0 26.2 57.0 100.0 58.0 6.2 59.0 1.6 60.0 1.5 61.0 5.6 62.0 8.6 63.0 3.5 66.0 2.2 67.0 1.2 72.0 2.9 73.0 4.9 74.0 2.8 75.0 1.3 80.0 1.3 83.0 2.8 84.0 1.4 85.0 1.9 91.0 1.3 96.0 2.5 97.0 26.8 98.0 4.6 99.0 10.7 100.0 1.5 107.0 4.8 108.0 1.5 109.0 4.5 111.0 1.0 132.0 17.3 133.0 9.5 134.0 11.4 135.0 5.8 136.0 2.1 143.0 2.1 144.0 1.7 145.0 1.5 146.0 1.0 160.0 3.4 161.0 1.2 162.0 3.3 164.0 1.0 167.0 5.5 169.0 5.3 171.0 1.7 179.0 12.0 181.0 11.4 183.0 3.6 195.0 1.0 196.0 81.3 197.0 6.8 198.0 78.7 199.0 5.8 200.0 25.1 201.0 1.8 202.0 2.8 223.0 9.0 225.0 8.6 227.0 2.7 281.0 3.8 283.0 3.6 285.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C11 H11 Cl3 O3 0.043 g : 0.5 ml CDCl3 tert-butyl 2,4,5-trichlorophenyl carbonate 
Parameter ppm Hz
D(A) 7.542 D(B) 7.354 J(A,B) 0.35 D(C) 1.559
Hz ppm Int.2262.60 7.542 93 2206.22 7.354 88 467.68 1.559 1000
in CDCl3
KBr disc
