1-Chloropropane(540-54-5) MS
Product Name1-Chloropropane
CAS540-54-5
Molecular FormulaC3H7Cl
Molecular Weight78.54
InChIInChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
InChIKey SNMVRZFUUCLYTO-UHFFFAOYSA-N
SmilesC(Cl)CC
-
MassMS-NW-0944 1-chloropropane C3H7Cl (Mass of molecular ion: 78)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 18.0 1.3 26.0 3.9 27.0 31.9 28.0 12.9 29.0 40.6 36.0 1.2 37.0 2.3 38.0 3.1 39.0 11.4 40.0 3.1 41.0 23.2 42.0 100.0 43.0 13.7 49.0 4.2 51.0 1.3 63.0 4.7 65.0 1.4 78.0 2.7
parameter in benzene
-
1H NMR 300 MHz C3 H7 Cl 90 vol% in benzene 1-chloropropane 
Parameter ppm Hz
D(A) 3.302 D(B) 1.613 D(C) 0.855 J(A,B) 6.60 J(A,C) -0.06 J(B,C) 7.35 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
Hz ppm Int.997.25 3.324 353 990.66 3.302 721 984.06 3.280 371 501.66 1.672 40 494.30 1.648 138 487.61 1.625 274 480.36 1.601 282 473.64 1.579 149 466.46 1.555 45 263.73 0.879 509 256.40 0.855 1000 249.05 0.830 442
in CDCl3
liquid film
4880 A,200 M,liquid
