3-Chloropropyne(624-65-7) IR1
Product Name3-Chloropropyne
CAS624-65-7
Molecular FormulaC3H3Cl
Molecular Weight74.51
InChIInChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2
InChIKey LJZPPWWHKPGCHS-UHFFFAOYSA-N
SmilesC#CCCl
-
MassMS-NW-4389 3-chloropropyne C3H3Cl (Mass of molecular ion: 74)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
25.0 1.4 26.0 1.2 35.0 2.3 36.0 6.5 37.0 16.9 38.0 22.7 39.0 100.0 40.0 3.6 47.0 2.7 49.0 1.4 72.0 1.2 73.0 4.4 74.0 31.9 75.0 4.1 76.0 10.2 77.0 1.0
parameter in TMS
90 MHz in CDCl3
-
1H NMR 300 MHz C3 H3 Cl 2 vol% in TMS 3-chloropropyne 
Parameter ppm Hz
D(A) 2.238 D(B) 3.938 J(A,B) 2.6 WHIPPLE,E.B. ET AL. J.AM.CHEM.SOC. 81, 1321 (1959)
Hz ppm Int.1182.71 3.942 990 1180.12 3.934 1000 673.99 2.247 258 671.40 2.238 498 668.82 2.229 253
-
1H NMR 89.56 MHz C3 H3 Cl 0.02 ml : 0.5 ml CDCl3 3-chloropropyne Assign. Shift(ppm)
A 4.120 B 2.525
Hz ppm Int.370.69 4.140 968 368.06 4.110 1000 363.94 4.064 36 229.88 2.567 270 227.25 2.538 498 224.69 2.509 257
in CDCl3
CCl4 solution
liquid film
