Propyl chloroformate(109-61-5) Raman
Product NamePropyl chloroformate
CAS109-61-5
Molecular FormulaC4H7ClO2
Molecular Weight122.55
InChIInChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKey QQKDTTWZXHEGAQ-UHFFFAOYSA-N
SmilesC(Cl)(OCCC)=O
-
MassMS-NW-0979 propyl chloroformate C4H7ClO2 (Mass of molecular ion: 122)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 26.0 3.6 27.0 26.8 28.0 6.1 29.0 11.7 30.0 2.2 31.0 6.5 35.0 1.5 36.0 2.5 37.0 1.0 38.0 1.7 39.0 9.0 40.0 3.6 41.0 32.1 42.0 100.0 43.0 71.8 44.0 7.2 57.0 2.8 59.0 5.6 63.0 48.6 65.0 15.7 81.0 1.0 93.0 15.3 95.0 5.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C4 H7 Cl O2 0.02 ml : 0.5 ml CDCl3 propyl chloroformate 
Assign. Shift(ppm)
A 4.284 B 1.759 C 0.998
Hz ppm Int.390.31 4.359 436 383.75 4.285 901 377.13 4.211 480 162.19 1.811 221 155.63 1.738 176 154.63 1.727 265 147.81 1.651 190 96.50 1.078 287 95.88 1.071 480 88.94 0.994 1000 88.25 0.986 526 81.81 0.914 187 81.19 0.907 287 80.25 0.897 158
in CDCl3
liquid film
4880 A,200 M,liquid
