Butyl chloroformate(592-34-7) 13C NMR
Product NameButyl chloroformate
CAS592-34-7
Molecular FormulaC5H9ClO2
Molecular Weight136.58
InChIInChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKey NRDQFWXVTPZZAZ-UHFFFAOYSA-N
SmilesC(Cl)(OCCCC)=O
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MassMS-NW-1114 butyl chloroformate C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.2 18.0 1.0 26.0 2.2 27.0 16.7 28.0 5.0 29.0 25.5 31.0 1.8 39.0 8.1 40.0 2.4 41.0 55.3 42.0 4.5 43.0 17.5 44.0 5.0 55.0 10.9 56.0 100.0 57.0 33.1 58.0 1.6 63.0 19.2 65.0 6.5 73.0 1.0 93.0 3.3 95.0 1.2 107.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O2 0.04 ml : 0.5 ml CDCl3 butyl chloroformate 
Assign. Shift(ppm)
A 4.325 B 1.68 C 1.41 D 0.96
Hz ppm Int.394.13 4.401 395 387.75 4.330 1000 381.25 4.257 518 154.63 1.727 215 153.69 1.717 159 148.06 1.654 225 147.50 1.647 203 141.63 1.582 213 137.25 1.533 170 131.88 1.473 178 129.88 1.451 199 125.81 1.405 160 123.06 1.375 205 116.44 1.301 178 93.31 1.042 277 92.25 1.031 454 91.63 1.024 424 85.75 0.958 916 84.31 0.942 368 78.31 0.875 207
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
